SCHEMBL3493447

SCHEMBL3493447

CN1C(C)(C)CC(Nc2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc2F)CC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.55
CCNE1 P24864 3/20 0.55
CCNB2 O95067 3/20 0.55
CDK1 P06493 3/20 0.55
CCNB1 P14635 3/20 0.55
CDK5 Q00535 3/20 0.55
CDK5R1 Q15078 3/20 0.55
CCNB3 Q8WWL7 3/20 0.55
CCNT1 O60563 2/20 0.55
CCNE2 O96020 2/20 0.55
CDK9 P50750 2/20 0.55
PRKCQ Q04759 1/20 0.53
SYK P43405 3/20 0.52
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
CCNA2 P20248 3/20 0.49
STK4 Q13043 7/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46

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
SCHEMBL3496417 0.89 SYK (0.53) CDK2CCNE1CCNB2CDK1CCNB1
SCHEMBL3495796 0.89 CDK2 (0.58) CDK2CCNE1CCNB2CDK1CCNB1
SCHEMBL3494931 0.87 PRKCQ (0.54) CDK2CCNE1CCNB2CDK1CCNB1
SCHEMBL3497350 0.85 AURKA (0.58) PRKCQSYKAURKAAURKB
SCHEMBL3493781 0.85 PRKCQ (0.56) CDK2CDK1CDK5PRKCQSYK
SCHEMBL3496536 0.84 AURKA (0.58) PRKCQSYKAURKAAURKB
SCHEMBL3495899 0.83 PRKCQ (0.59) CDK2CCNE1CDK1CDK5CCNT1
SCHEMBL3495520 0.82 PRKCQ (0.56) CDK2CCNE1CDK1CDK5CCNT1
SCHEMBL3497975 0.82 SYK (0.61) PRKCQSYKAURKA
SCHEMBL3493976 0.82 PRKCQ (0.54) CDK2CDK1CDK5PRKCQSYK

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 3 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

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 129/4885CCNE1 1873/4885CCNB2 1693/4885

“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.