SCHEMBL83995

SCHEMBL83995

CC(C)c1ccnc(NC2CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.47
CCND1 P24385 7/20 0.47
CDK2 P24941 7/20 0.47
CDK1 P06493 6/20 0.47
CCNB1 P14635 6/20 0.47
CCNA2 P20248 6/20 0.47
CCNA1 P78396 6/20 0.47
CCND3 P30281 3/20 0.47
CDK6 Q00534 3/20 0.47
CCNE1 P24864 1/20 0.47
CTSK P43235 1/20 0.45
HRH4 Q9H3N8 4/20 0.44
IDH1 O75874 1/20 0.44
IDH2 P48735 1/20 0.44
HTR3A P46098 1/20 0.43
GSK3B P49841 2/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
IKBKB O14920 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL84414 0.93 CDK1 (0.54) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL84078 0.92 CDK1 (0.56) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL14383122 0.89 CDK4 (0.59) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL14004978 0.89 MAPK1 (0.57) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL24824411 0.85 CCNT1 (0.49) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL84411 0.81 CDK7 (0.50) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL17148506 0.81 MKNK1 (0.52) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL84003 0.81 IKBKB (0.49) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL21064115 0.77 MAPK1 (0.54) CDK2CCNA2HRH4IDH1IDH2
SCHEMBL84453 0.77 IKBKB (0.54) CDK4CCND1CDK2CDK1CCNB1

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 12 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-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 US disclosed
US-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 US disclosed
US-20170210730-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-07-27 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
US-9657009-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20150284382-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 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-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 CDK4 59/4885CCND1 2399/4885CDK2 349/4885
US-20150284382-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 CDK4 48/4885CCND1 2203/4885CDK2 292/4885
US-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators IRAK4, IRAK3, IRAK2 CDK4 59/4885CCND1 2399/4885CDK2 349/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS CDK4 12/4885CCND1 747/4885CDK2 20/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS CDK4 20/4885CCND1 919/4885CDK2 34/4885
US-20170210730-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 CDK4 59/4885CCND1 2399/4885CDK2 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.