SCHEMBL10139178

SCHEMBL10139178

CC(C)(C)c1nc(C(C)(C)C)c2cc[nH]c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
DYRK1A Q13627 1/20 0.36
KDM4E B2RXH2 1/20 0.34
PRKCI P41743 3/20 0.33
AXL P30530 2/20 0.33
CCR4 P51679 1/20 0.32
JAK2 O60674 3/20 0.31
JAK3 P52333 2/20 0.31
JAK1 P23458 2/20 0.31
TYK2 P29597 1/20 0.31
ROCK2 O75116 1/20 0.31
PRKCA P17252 1/20 0.31
PRKACA P17612 1/20 0.31
FLT3 P36888 1/20 0.31
GSK3B P49841 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31
ROCK1 Q13464 1/20 0.31
CYP3A4 P08684 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24996724 0.88 DYRK1A (0.33) ADORA2AADORA1DYRK1AKDM4EPRKCI
SCHEMBL23889254 0.81 ADORA2A (0.40) ADORA2AADORA1DYRK1AKDM4EPRKCI
SCHEMBL18701495 0.80 DYRK1A (0.35) ADORA2AADORA1DYRK1AKDM4EPRKCI
SCHEMBL30974906 0.80 DYRK1A (0.35) ADORA2AADORA1DYRK1AKDM4EPRKCI
SCHEMBL16212071 0.80 PRKCI (0.39) ADORA2AADORA1DYRK1AKDM4EPRKCI
SCHEMBL12398448 0.77 AURKA (0.41) ADORA2AADORA1DYRK1AKDM4EPRKCI
SCHEMBL20618770 0.77 JAK3 (0.35) ADORA2AADORA1DYRK1AKDM4EPRKCI
SCHEMBL30974876 0.77 PDPK1 (0.37) ADORA2AADORA1DYRK1APRKCIAXL
SCHEMBL19820315 0.77 HRH4 (0.34) ADORA2AADORA1DYRK1APRKCIAXL
SCHEMBL24175511 0.77 DYRK1A (0.33) ADORA2AADORA1DYRK1APRKCIAXL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025902-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE BEONE MEDICINES I GMBH (CH) 2024-01-25 US disclosed
US-20240025902-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE BEONE MEDICINES I GMBH (CH) 2024-01-25 US disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-20230295130-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF TYK MEDICINES, INC. (CN) 2023-09-21 US disclosed
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-12-01 US disclosed
US-20210100802-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA Therapeutics, Inc. (US) 2021-04-08 US disclosed
US-10799504-B2 Heterocyclic compounds and uses as anticancer agents ACEA Therapeutics, Inc. (US) 2020-10-13 US disclosed
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-09-12 US disclosed
US-10323023-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-18 US disclosed
US-20130190320-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA BIOSCIENCES, INC. (US) 2013-07-25 US disclosed
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. 2013-05-30 US disclosed
US-20120015937-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-8053434-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2011-11-08 US disclosed
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. 2011-08-25 US disclosed
US-7977342-B2 HCV inhibiting bi-cyclic pyrimidines TIBOTEC-VIRCO VIROLOGY BVBA (BE) 2011-07-12 US disclosed
US-20100069369-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
US-7601713-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-05 US disclosed
US-20070142402-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 ADORA2A 1376/4885ADORA1 2095/4885DYRK1A 191/4885
US-10323023-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 ADORA2A 3025/4885ADORA1 3254/4885DYRK1A 1179/4885
US-20230295130-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF CDK7, CDK6, CDK9 ADORA2A 4571/4885ADORA1 4737/4885DYRK1A 1397/4885
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith EGFR, ERBB2, BRCA1 ADORA2A 2554/4885ADORA1 3516/4885DYRK1A 2163/4885
US-10799504-B2 Heterocyclic compounds and uses as anticancer agents ERBB2, EGFR, ERBB3 ADORA2A 2012/4885ADORA1 3572/4885DYRK1A 2222/4885
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES UMPS, NUDT1, PNP ADORA2A 328/4885ADORA1 450/4885DYRK1A 2325/4885
US-20240025902-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE EGFR, ERBB2, CBL ADORA2A 4273/4885ADORA1 4640/4885DYRK1A 116/4885
US-20120015937-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN ADORA2A 3008/4885ADORA1 4194/4885DYRK1A 311/4885
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA ADORA2A 3184/4885ADORA1 2891/4885DYRK1A 973/4885
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH EGFR, ERBB2, BRCA1 ADORA2A 2554/4885ADORA1 3516/4885DYRK1A 2163/4885
US-20100069369-A1 Kinase Inhibitors And Their Uses BTK, SYK, JAK2 ADORA2A 2362/4885ADORA1 3082/4885DYRK1A 481/4885
US-20070142402-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN ADORA2A 3008/4885ADORA1 4194/4885DYRK1A 311/4885
US-20210100802-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ERBB2, EGFR, ERBB3 ADORA2A 2012/4885ADORA1 3572/4885DYRK1A 2222/4885
US-20130190320-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ERBB2, EGFR, ERBB3 ADORA2A 2012/4885ADORA1 3572/4885DYRK1A 2222/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA ADORA2A 3184/4885ADORA1 2891/4885DYRK1A 973/4885
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS SLC10A1, CYP7A1, FABP1 ADORA2A 2421/4885ADORA1 1509/4885DYRK1A 3891/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.