SCHEMBL91469

SCHEMBL91469

Cc1ccnc(NC2CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.49
CDK4 P11802 5/20 0.48
CDK2 P24941 4/20 0.48
CDK1 P06493 3/20 0.48
CCNB1 P14635 3/20 0.48
CCNA2 P20248 2/20 0.48
CCND1 P24385 2/20 0.48
CCNA1 P78396 2/20 0.48
HRH4 Q9H3N8 4/20 0.48
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
IKBKB O14920 2/20 0.44
KDR P35968 1/20 0.44
CCNB2 O95067 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
GSK3B P49841 1/20 0.43
MAPK1 P28482 1/20 0.43
AURKA O14965 1/20 0.43
TTK P33981 1/20 0.43
AURKB Q96GD4 1/20 0.43

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
SCHEMBL91478 0.93 CTSK (0.58) CTSKCDK4CDK2CDK1CCNB1
SCHEMBL18677322 0.92 CDK1 (0.54) CTSKCDK4CDK2CDK1CCNB1
SCHEMBL24065221 0.92 CDK1 (0.54) CTSKCDK4CDK2CDK1CCNB1
SCHEMBL91484 0.91 CTSK (0.60) CTSKCDK4CDK2CDK1CCNB1
SCHEMBL15830033 0.88 MAPK1 (0.62) HRH4MAPK1MAPK8MAPK9MAPK10
SCHEMBL6508763 0.88 IKBKB (0.58) CTSKCDK4CDK2CDK1CCNB1
SCHEMBL12367075 0.87 IKBKB (0.61) CDK4CDK2CDK1CCNB1CCNA2
SCHEMBL14176051 0.86 MAPK8 (0.56) CDK4CDK2CDK1CCNB1CCND1
SCHEMBL12367079 0.81 BRD4 (0.50) CTSKCDK4CDK2CDK1CCNB1
SCHEMBL13693348 0.80 BRD4 (0.52) CDK4CDK2CDK1CCNB1CCNA2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544133-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 US disclosed
US-20170210730-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-07-27 US disclosed
US-9657009-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
EP-2834238-B1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS PFIZER (US) 2017-02-01 EP disclosed
US-9296745-B2 Diacylglycerol acyltransferase 2 inhibitors PFIZER INC. (US) 2016-03-29 US disclosed
US-20150284382-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 US disclosed
US-20150087585-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS PFIZER INC. (US) 2015-03-26 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
EP-2545042-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
WO-2011112191-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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 (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-10544133-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators IRAK4, IRAK3, IRAK2 CTSK 3447/4885CDK4 59/4885CDK2 349/4885
US-20150284382-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 CTSK 3350/4885CDK4 48/4885CDK2 292/4885
US-20150087585-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS DGAT2, DGAT1, PLAAT2 CTSK 3925/4885CDK4 1784/4885CDK2 693/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS CTSK 1606/4885CDK4 12/4885CDK2 20/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS CTSK 2315/4885CDK4 20/4885CDK2 34/4885
US-20170210730-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 CTSK 3447/4885CDK4 59/4885CDK2 349/4885

“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.