SCHEMBL3495600

SCHEMBL3495600

CN1CCN(c2ccc(Nc3ncc(C#N)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)cc2C(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 9/20 0.53
CDK2 P24941 9/20 0.53
CCNA1 P78396 9/20 0.53
BRD4 O60885 2/20 0.49
CDK4 P11802 5/20 0.49
CCND3 P30281 5/20 0.49
GSK3B P49841 5/20 0.49
PIM1 P11309 4/20 0.49
MTOR P42345 3/20 0.47
SLC2A1 P11166 2/20 0.47
PKMYT1 Q99640 1/20 0.46
AURKA O14965 1/20 0.45
CCNK O75909 1/20 0.45
CDK12 Q9NYV4 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
SCHEMBL3496128 0.91 CHEK1 (0.48) CCNA2CDK2CCNA1BRD4
SCHEMBL1741098 0.91 BRD4 (0.46) CCNA2CDK2CCNA1BRD4CDK4
SCHEMBL3495081 0.90 CDK4 (0.53) CCNA2CDK2CCNA1BRD4CDK4
SCHEMBL3495623 0.89 BRD4 (0.59) CCNA2CDK2CCNA1BRD4CDK4
SCHEMBL1741267 0.89 CDK2 (0.53) CCNA2CDK2CCNA1BRD4CDK4
SCHEMBL1743517 0.89 PAK1 (0.49) BRD4SLC2A1PKMYT1
SCHEMBL3496765 0.88 EGFR (0.55) CCNA2CDK2CCNA1BRD4CDK4
SCHEMBL3497842 0.85 KDR (0.50) CDK2BRD4CDK4SLC2A1PKMYT1
SCHEMBL3497197 0.84 CCNA2 (0.56) CCNA2CDK2CCNA1BRD4CDK4
SCHEMBL3494581 0.84 BRD4 (0.53) CCNA2CDK2CCNA1BRD4CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US claimed
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP claimed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 WO claimed
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 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 (1 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-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ CCNA2 1000/4885CDK2 129/4885CCNA1 1011/4885

“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.