SCHEMBL3495752

SCHEMBL3495752

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.51
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45
ULK1 O75385 11/20 0.45
ULK2 Q8IYT8 2/20 0.45
FLT3 P36888 4/20 0.42
KIT P10721 3/20 0.42
CHEK1 O14757 2/20 0.41
SYK P43405 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40

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
SCHEMBL1742460 0.92 PRKCQ (0.50) PRKCQCDK2ULK1ULK2FLT3
SCHEMBL3495485 0.91 PRKCQ (0.53) PRKCQCDK2FLT3KITCHEK1
SCHEMBL3494878 0.91 PRKCQ (0.54) PRKCQCDK2FLT3KITCHEK1
SCHEMBL3496333 0.90 PRKCQ (0.54) PRKCQCDK2FLT3KITCHEK1
SCHEMBL3496359 0.89 PRKCQ (0.51) PRKCQCDK2SYK
SCHEMBL3495629 0.88 PRKCQ (0.54) PRKCQCDK2FLT3KITCHEK1
SCHEMBL3494579 0.87 PRKCQ (0.49) PRKCQCDK2FLT3KIT
SCHEMBL3495428 0.87 PRKCQ (0.50) PRKCQCCNA2CDK2CCNA1ULK1
SCHEMBL3494059 0.87 PRKCQ (0.49) PRKCQCDK2CHEK1SYK
SCHEMBL3497272 0.87 PRKCQ (0.55) PRKCQCDK2ULK1ULK2FLT3

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.