SCHEMBL3494045

SCHEMBL3494045

CN1C(C)(C)CC(Nc2nc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)ncc2[N+](=O)[O-])CC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.48
CDK2 P24941 3/20 0.48
CCNA1 P78396 3/20 0.48
PIM1 P11309 3/20 0.46
CDK4 P11802 3/20 0.46
CCND3 P30281 3/20 0.46
GSK3B P49841 3/20 0.46
MTOR P42345 2/20 0.46
BRD4 O60885 3/20 0.42
PLK1 P53350 1/20 0.42
EGFR P00533 2/20 0.41
FLT3 P36888 6/20 0.40
CHEK1 O14757 3/20 0.39
KIT P10721 1/20 0.39
ULK1 O75385 1/20 0.39
ALK Q9UM73 1/20 0.39

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
SCHEMBL3497197 0.92 CCNA2 (0.56) CCNA2CDK2CCNA1PIM1CDK4
SCHEMBL3493568 0.89 CDK4 (0.45) CDK4CCND3BRD4EGFRFLT3
SCHEMBL1741104 0.89 CCNA2 (0.48) CCNA2CDK2CCNA1PIM1CDK4
SCHEMBL3494277 0.81 BRD4 (0.53) BRD4PLK1EGFRFLT3
SCHEMBL3495081 0.81 CDK4 (0.53) CCNA2CDK2CCNA1PIM1CDK4
SCHEMBL3496589 0.80 PRKCQ (0.50) CCNA2CDK2CCNA1PIM1CDK4
SCHEMBL1741267 0.80 CDK2 (0.53) CCNA2CDK2CCNA1PIM1CDK4
SCHEMBL3497984 0.80 ULK1 (0.51) FLT3CHEK1KITULK1
SCHEMBL3494951 0.80 PRKCQ (0.49) CCNA2CDK2CCNA1PIM1CDK4
SCHEMBL3495623 0.80 BRD4 (0.59) CCNA2CDK2CCNA1PIM1CDK4

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 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.