SCHEMBL3496946

SCHEMBL3496946

CN1CCC(Nc2nc(Nc3ccc(N4CCN(C)CC4)c(C(F)(F)F)c3)ncc2F)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.57
CCNA2 P20248 6/20 0.57
CCNA1 P78396 6/20 0.57
CDK4 P11802 3/20 0.55
CCND3 P30281 3/20 0.55
GSK3B P49841 3/20 0.55
PIM1 P11309 2/20 0.55
BRD4 O60885 2/20 0.55
MTOR P42345 1/20 0.53
SIK1 P57059 2/20 0.53
SIK2 Q9H0K1 2/20 0.53
SIK3 Q9Y2K2 2/20 0.53
BCL6 P41182 1/20 0.51
KDR P35968 2/20 0.51
ALK Q9UM73 2/20 0.51
EGFR P00533 2/20 0.51
CDC7 O00311 1/20 0.51
PLK4 O00444 1/20 0.51
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51

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
SCHEMBL12952138 0.95 CDK2 (0.56) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL3647902 0.92 EGFR (0.53) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL3496079 0.92 CDK2 (0.51) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL1741860 0.90 CDK2 (0.53) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL13252995 0.90 CDK2 (0.53) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL3495732 0.90 ALK (0.52) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL1741267 0.89 CDK2 (0.53) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL3496601 0.88 ALK (0.52) CDK2CCNA2CCNA1BRD4SIK1
SCHEMBL3494148 0.88 CDK2 (0.52) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL3494949 0.88 BCL6 (0.64) CDK2BRD4SIK1SIK2SIK3

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 CDK2 129/4885CCNA2 1000/4885CCNA1 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.