SCHEMBL3496765

SCHEMBL3496765

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.55
BRD4 O60885 4/20 0.54
CCNA2 P20248 6/20 0.53
CDK2 P24941 6/20 0.53
CCNA1 P78396 6/20 0.53
CDK4 P11802 3/20 0.53
CCND3 P30281 3/20 0.53
GSK3B P49841 3/20 0.53
PIM1 P11309 2/20 0.53
MTOR P42345 1/20 0.53
CTSC P53634 4/20 0.51
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL3495081 0.92 CDK4 (0.53) EGFRBRD4CCNA2CDK2CCNA1
SCHEMBL3495621 0.92 SYK (0.50) EGFRBRD4CCNA2CDK2CCNA1
SCHEMBL3494581 0.91 BRD4 (0.53) EGFRBRD4CCNA2CDK2CCNA1
SCHEMBL3495623 0.91 BRD4 (0.59) BRD4CCNA2CDK2CCNA1CDK4
SCHEMBL1741267 0.91 CDK2 (0.53) EGFRBRD4CCNA2CDK2CCNA1
SCHEMBL3496816 0.90 TNK2 (0.51) EGFRBRD4PIM1
SCHEMBL3495600 0.88 CCNA2 (0.53) BRD4CCNA2CDK2CCNA1CDK4
SCHEMBL3497197 0.86 CCNA2 (0.56) EGFRBRD4CCNA2CDK2CCNA1
SCHEMBL3496551 0.86 PAK1 (0.57) EGFRBRD4PIM1
SCHEMBL3496589 0.85 PRKCQ (0.50) EGFRBRD4CCNA2CDK2CCNA1

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 5 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
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 EGFR 1181/4885BRD4 1173/4885CCNA2 1000/4885

“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.