SCHEMBL3495428

SCHEMBL3495428

CN1C(C)(C)CC(Nc2nc(Nc3ccc(OC(F)(F)F)c(-c4cccnc4)c3)ncc2F)CC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.50
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
PLK1 P53350 1/20 0.44
CCNA1 P78396 1/20 0.44
SYK P43405 5/20 0.41
ULK1 O75385 2/20 0.39
ULK2 Q8IYT8 2/20 0.39
MAP3K7 O43318 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
EGFR P00533 5/20 0.39
ITK Q08881 3/20 0.38
ABL1 P00519 2/20 0.38
BCL6 P41182 1/20 0.38
BTK Q06187 1/20 0.37
RET P07949 1/20 0.37
KIF5B P33176 1/20 0.37
KDR P35968 1/20 0.37
ETV6 P41212 1/20 0.37
KCNH2 Q12809 1/20 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
SCHEMBL3495518 0.92 PRKCQ (0.49) PRKCQCCNA2CDK2PLK1CCNA1
SCHEMBL3497299 0.91 PRKCQ (0.56) PRKCQSYKULK1ULK2MAP3K7
SCHEMBL3494878 0.89 PRKCQ (0.54) PRKCQCDK2SYKMAP3K7IRAK4
SCHEMBL3495209 0.88 PRKCQ (0.49) PRKCQCCNA2CDK2PLK1CCNA1
SCHEMBL3495752 0.87 PRKCQ (0.51) PRKCQCCNA2CDK2CCNA1SYK
SCHEMBL3495629 0.87 PRKCQ (0.54) PRKCQCDK2SYKMAP3K7IRAK4
SCHEMBL3495485 0.87 PRKCQ (0.53) PRKCQCDK2SYKIRAK4EGFR
SCHEMBL3495086 0.87 PRKCQ (0.48) PRKCQCCNA2CDK2PLK1CCNA1
SCHEMBL3496333 0.85 PRKCQ (0.54) PRKCQCDK2SYKMAP3K7IRAK4
SCHEMBL3496203 0.85 PRKCQ (0.57) PRKCQCCNA2CDK2PLK1CCNA1

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 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.