SCHEMBL440008

SCHEMBL440008

CSc1ncc(C#N)c(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CSNK1A1 P48729 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 3/20 0.38
PIN1 Q13526 1/20 0.37
GAA P10253 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.36
KHK P50053 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35

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
SCHEMBL31279583 1.00 KMT2A (0.42) KMT2ACYP1A2CYP2C9CYP2C19CSNK1A1
SCHEMBL14667067 0.81 KMT2A (0.41) KMT2ACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL7022601 0.81 KMT2A (0.47) KMT2ACYP1A2CYP2C9CYP2C19CSNK1A1
SCHEMBL21410027 0.79 HSP90AB1 (0.38) KMT2ACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL1227312 0.78 KDM4E (0.38) KMT2ACSNK1A1CLK4MEN1KDM4E
SCHEMBL212306 0.78 TP53 (0.58) KMT2ACYP2C19CSNK1A1CLK4MEN1
SCHEMBL8397028 0.76 KMT2A (0.42) KMT2ACSNK1A1CLK4MEN1KDM4E
SCHEMBL20980240 0.75 KMT2A (0.39) KMT2ACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL25204937 0.75 KDM4E (0.45) KMT2AMEN1KDM4EPIN1GAA
SCHEMBL2480844 0.75 KDM4E (0.45) KMT2AMEN1KDM4EGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530489-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US claimed
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US claimed
US-8247421-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-21 US claimed
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2010-07-29 US claimed
CN-101678022-A 5-cyano-4- (pyrrolo [2,3b ] pyridin-3-yl) pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMA 2010-03-24 CN claimed
EP-2124951-A1 5-CYAN0-4- (PYRROLO Ý2, 3B¨PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2009-12-02 EP claimed
WO-2008079346-A1 5-CYAN0-4- (PYRROLO [2, 3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-07-03 WO claimed
EP-4736854-A2 HETEROCYCLIC COMPOUNDS AS MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS Bristol-Myers Squibb Company (US) 2026-05-06 EP disclosed
US-12583852-B2 Heterocycle derivative JW PHARMACEUTICAL CORPORATION (KR) 2026-03-24 US disclosed
US-12559505-B2 IDH mutant inhibitor and use thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2026-02-24 US disclosed
EP-4514473-B1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL MYERS SQUIBB CO (US) 2026-02-18 EP disclosed
US-12508268-B2 Inhibitors of tryptophan dioxygenases (IDO1 and TDO) and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2025-12-30 US disclosed
US-20250353842-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORP (US) 2025-11-20 US disclosed
WO-2000039101-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-07-06 WO disclosed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 WO disclosed
US-5945422-A ANTICANCER AGENTS; ATHEROSCLEROSIS; RESTENOSIS; PSORIASIS WARNER-LAMBERT COMPANY (US) 1999-08-31 US disclosed
US-5733914-A Pyrido 2, 3-d!pyrimidines for inhibiting protein tyrosine kinase mediated cellular proliferation WARNER-LAMBERT COMPANY (US) 1998-03-31 US disclosed
EP-0823908-A1 PYRIDO 2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1998-02-18 EP disclosed
US-5620981-A ANTICARCINOGENIC AGENTS, ATHEROSCLEROSIS, RESTENOSIS, PSORIASIS WARNER-LAMBERT COMPANY (US) 1997-04-15 US disclosed
WO-1996034867-A1 PYRIDO[2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1996-11-07 WO 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 (6 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-12559505-B2 IDH mutant inhibitor and use thereof IDH3A, IDH1, IDH3B KMT2A 233/4885CYP1A2 698/4885CYP2C9 325/4885
US-12508268-B2 Inhibitors of tryptophan dioxygenases (IDO1 and TDO) and their use in therapy IDO1, IDO2, TDO2 KMT2A 1746/4885CYP1A2 845/4885CYP2C9 552/4885
US-20250353842-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 KMT2A 321/4885CYP1A2 1644/4885CYP2C9 3384/4885
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP3K20 KMT2A 2310/4885CYP1A2 3123/4885CYP2C9 2626/4885
US-12583852-B2 Heterocycle derivative AR, SRD5A1, NR5A1 KMT2A 1073/4885CYP1A2 2196/4885CYP2C9 496/4885
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 KMT2A 2258/4885CYP1A2 2865/4885CYP2C9 2291/4885

“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.