SCHEMBL3494246

SCHEMBL3494246

CN1C(C)(C)CC(Nc2nc(Nc3ccc(OC(F)(F)F)c(Br)c3)ncc2F)CC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.53
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
PLK1 P53350 1/20 0.46
CCNA1 P78396 1/20 0.46
SYK P43405 4/20 0.43
ULK1 O75385 3/20 0.43
ULK2 Q8IYT8 1/20 0.43
BCL6 P41182 2/20 0.42
EGFR P00533 6/20 0.40
ITK Q08881 3/20 0.38
CHEK1 O14757 1/20 0.38
FLT3 P36888 1/20 0.38
KDR P35968 1/20 0.38
BTK Q06187 2/20 0.37

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
SCHEMBL3496203 0.90 PRKCQ (0.57) PRKCQCCNA2CDK2PLK1CCNA1
SCHEMBL3495924 0.90 PRKCQ (0.59) PRKCQSYKULK1ULK2BCL6
SCHEMBL3496562 0.90 PRKCQ (0.53) PRKCQCCNA2CDK2PLK1CCNA1
SCHEMBL3495568 0.87 PRKCQ (0.56) PRKCQSYKBCL6EGFRITK
SCHEMBL3495518 0.86 PRKCQ (0.49) PRKCQCCNA2CDK2PLK1CCNA1
SCHEMBL3495184 0.85 PRKCQ (0.57) PRKCQCCNA2CDK2PLK1CCNA1
SCHEMBL3495571 0.85 PRKCQ (0.57) PRKCQCDK2SYKBCL6EGFR
SCHEMBL3495520 0.85 PRKCQ (0.56) PRKCQCDK2SYKBCL6EGFR
SCHEMBL3495209 0.85 PRKCQ (0.49) PRKCQCCNA2CDK2PLK1CCNA1
SCHEMBL3496348 0.85 PRKCQ (0.53) PRKCQCDK2ULK1ULK2CHEK1

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 PRKCQ 3/4885CCNA2 1000/4885CDK2 129/4885

“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.