SCHEMBL84506

SCHEMBL84506

CC(=O)Nc1cc(C(C)(C)C)ccn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
PIK3C3 Q8NEB9 10/20 0.49
MAPK14 Q16539 5/20 0.48
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
BRAF P15056 2/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
SRC P12931 1/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
MAPK13 O15264 1/20 0.45

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
SCHEMBL2635471 0.86 NR3C2 (0.47) L3MBTL1PIK3C3BRAF
SCHEMBL20877691 0.85 L3MBTL1 (0.47) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL5029364 0.85 NR3C2 (0.59)
SCHEMBL3192275 0.85 L3MBTL1 (0.55) L3MBTL1PIK3C3BRAFKDR
SCHEMBL14549704 0.83 PIK3C3 (0.51) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL12203066 0.83 GCK (0.54) MAPK14BRAFKDR
SCHEMBL12203144 0.83 JAK2 (0.52) MAPK14JAK2JAK1TYK2
SCHEMBL20877690 0.83 L3MBTL1 (0.45) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL12203151 0.82 SMN1; SMN2 (0.49) BRAFKDR
SCHEMBL12203077 0.82 MAPK14 (0.51) L3MBTL1MAPK14JAK2TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20220135534-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2022-05-05 US disclosed
US-11242319-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2022-02-08 US disclosed
US-20200115388-A1 IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-16 US disclosed
US-20190092729-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2019-03-28 US disclosed
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-20160152621-A1 ARYL LACTAM KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-4203988-A ANTISECRETORY AGENTS MERCK & CO., INC. (US) 1980-05-20 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 (11 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-11242319-B2 Immunoregulatory agents IDO1, IDO2, INMT L3MBTL1 3766/4885PIK3C3 3102/4885MAPK14 3017/4885
US-20160152621-A1 ARYL LACTAM KINASE INHIBITORS AAK1, ADCK1, ANKK1 L3MBTL1 2143/4885PIK3C3 430/4885MAPK14 314/4885
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 L3MBTL1 2504/4885PIK3C3 1384/4885MAPK14 2411/4885
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK2A1 L3MBTL1 2087/4885PIK3C3 2693/4885MAPK14 441/4885
US-20220135534-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES RORC, RORB, RORA L3MBTL1 4361/4885PIK3C3 1404/4885MAPK14 1691/4885
US-20190092729-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT L3MBTL1 3766/4885PIK3C3 3102/4885MAPK14 3017/4885
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK1G1 L3MBTL1 2390/4885PIK3C3 2529/4885MAPK14 453/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 L3MBTL1 2377/4885PIK3C3 3759/4885MAPK14 1322/4885
US-20200115388-A1 IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 L3MBTL1 1178/4885PIK3C3 1314/4885MAPK14 189/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS L3MBTL1 1865/4885PIK3C3 121/4885MAPK14 484/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS L3MBTL1 2266/4885PIK3C3 54/4885MAPK14 218/4885

“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.