SCHEMBL3496172

SCHEMBL3496172

CN1C(C)(C)CC(Nc2nc(Nc3ccc(F)c(-c4cnn(C)c4)c3)ncc2F)CC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.53
TYRO3 Q06418 14/20 0.49
MERTK Q12866 8/20 0.47
AXL P30530 7/20 0.47
CCNT1 O60563 3/20 0.44
CCNE2 O96020 3/20 0.44
CCNE1 P24864 3/20 0.44
CDK2 P24941 3/20 0.44
CDK9 P50750 3/20 0.44
CCNB2 O95067 3/20 0.43
CDK1 P06493 3/20 0.43
CCNB1 P14635 3/20 0.43
CDK5 Q00535 3/20 0.43
CDK5R1 Q15078 3/20 0.43
CCNB3 Q8WWL7 3/20 0.43
IRAK1 P51617 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43

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
SCHEMBL3495453 0.94 PRKCQ (0.53) PRKCQTYRO3MERTKAXLCCNT1
SCHEMBL3494415 0.94 PRKCQ (0.52) PRKCQTYRO3MERTKAXLCCNT1
SCHEMBL3496637 0.92 PRKCQ (0.53) PRKCQTYRO3MERTKAXLCCNT1
SCHEMBL3495756 0.91 PRKCQ (0.54) PRKCQTYRO3MERTKAXL
SCHEMBL3496409 0.91 PRKCQ (0.50) PRKCQTYRO3MERTKAXLCCNT1
SCHEMBL3494579 0.90 PRKCQ (0.49) PRKCQTYRO3MERTKAXLCCNE2
SCHEMBL3496411 0.90 PRKCQ (0.53) PRKCQTYRO3MERTKAXLCCNT1
SCHEMBL3495209 0.89 PRKCQ (0.49) PRKCQTYRO3MERTKAXLCCNE2
SCHEMBL3494322 0.88 PRKCQ (0.52) PRKCQTYRO3MERTKAXLCCNT1
SCHEMBL3494377 0.88 PRKCQ (0.53) PRKCQAXLCCNT1CCNE1CDK2

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 3/4885TYRO3 852/4885MERTK 573/4885

“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.