SCHEMBL5134352

SCHEMBL5134352

Cc1nc(C)c2cc[nH]c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
PRKCI P41743 3/20 0.40
AXL P30530 3/20 0.40
DYRK1A Q13627 1/20 0.40
HRH4 Q9H3N8 1/20 0.37
SYK P43405 1/20 0.36
PIK3CA P42336 1/20 0.36
BRAF P15056 1/20 0.36
KDM4E B2RXH2 1/20 0.34
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33

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
Ammonia Solution, Strong SCHEMBL18806383 0.98 ADORA2A (0.43) ADORA2AADORA1PRKCIAXLDYRK1A
Formamide SCHEMBL2302589 0.89 ADORA2A (0.41) ADORA2AADORA1PRKCIAXLDYRK1A
SCHEMBL12574854 0.79 PRKCI (0.46) ADORA2AADORA1PRKCIAXLDYRK1A
SCHEMBL20748444 0.79 ADORA2A (0.42) ADORA2AADORA1PRKCIAXLDYRK1A
SCHEMBL18055932 0.79 DYRK1A (0.46) ADORA2AADORA1PRKCIAXLDYRK1A
SCHEMBL3124523 0.79 PRKCI (0.46) ADORA2AADORA1PRKCIAXLDYRK1A
SCHEMBL9912500 0.79 PIK3CA (0.50) ADORA2AADORA1PRKCIAXLDYRK1A
SCHEMBL12040846 0.79 ADORA2A (0.42) ADORA2AADORA1PRKCIAXLDYRK1A
SCHEMBL3126517 0.79 ADORA2A (0.42) ADORA2AADORA1PRKCIAXLDYRK1A
SCHEMBL12463243 0.79 ADORA2A (0.42) ADORA2AADORA1PRKCIAXLDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 US disclosed
WO-2023007185-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE Benevolentai Cambridge Limited (GB) 2023-02-02 WO disclosed
EP-3656769-B1 ARYL-PHOSPHORUS-OXYGEN COMPOUND AS EGFR KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2023-01-25 EP disclosed
EP-3421465-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2022-10-26 EP disclosed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
EP-3976621-A1 COMPOUNDS THAT DEGRADE KINASES AND USES THEREOF Regents of the University of Minnesota (US) 2022-04-06 EP disclosed
US-20110288297-A1 Pyrrolo[2,3-d]Pyrimidine Derivatives; Their Intermediates and Synthesis PFIZER, INC. (US) 2011-11-24 US disclosed
US-7884110-B2 4-Chloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide sodium salt; for chemokine-mediated conditions or diseases including certain inflammatory and immunoregulatory disorders; restenosis, multiple sclerosis, arthritis CHEMOCENTRYX, INC. (US) 2011-02-08 US disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
WO-2010120987-A1 RING FUSED, UREIDOARYL- AND CARBAMOYLARYL-BRIDGED MORPHOLINO-PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 WO disclosed
WO-2010002954-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-07 WO disclosed
US-20090233946-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. 2009-09-17 US disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-20050043332-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2005-02-24 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 (8 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD ADORA2A 4383/4885ADORA1 3744/4885PRKCI 159/4885
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 ADORA2A 1041/4885ADORA1 2146/4885PRKCI 4516/4885
US-20050043332-A1 Pyrrolo[2,3d]pyrimidine compositions and their use TYMP, UMPS, ADORA3 ADORA2A 7/4885ADORA1 38/4885PRKCI 1002/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 ADORA2A 422/4885ADORA1 1444/4885PRKCI 646/4885
US-20110288297-A1 Pyrrolo[2,3-d]Pyrimidine Derivatives; Their Intermediates and Synthesis DPYD, CPS1, TYMS ADORA2A 3457/4885ADORA1 3563/4885PRKCI 1239/4885
US-20090233946-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 ADORA2A 909/4885ADORA1 2398/4885PRKCI 4142/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 ADORA2A 422/4885ADORA1 1444/4885PRKCI 646/4885
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 ADORA2A 2655/4885ADORA1 1590/4885PRKCI 395/4885

“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.