SCHEMBL3495009

SCHEMBL3495009

CN1C(C)(C)CC(Nc2nc(Nc3cc(F)cc(F)c3)ncc2F)CC1(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.61
AXL P30530 4/20 0.42
TYRO3 Q06418 3/20 0.42
MERTK Q12866 3/20 0.42
EGFR P00533 5/20 0.41
BTK Q06187 4/20 0.41
AURKA O14965 3/20 0.41
KDR P35968 2/20 0.41
AURKB Q96GD4 2/20 0.41
ITK Q08881 3/20 0.39
IDH1 O75874 1/20 0.39
CDK2 P24941 3/20 0.39
CCNT1 O60563 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK9 P50750 2/20 0.39
SYK P43405 4/20 0.39
PLK4 O00444 1/20 0.39
PDPK1 O15530 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39

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
SCHEMBL3493194 0.91 PRKCQ (0.61) PRKCQAXLEGFRBTKAURKA
SCHEMBL3493830 0.91 PRKCQ (0.71) PRKCQEGFRBTKAURKAAURKB
SCHEMBL3497767 0.90 PRKCQ (0.62) PRKCQAXLEGFRBTKAURKA
SCHEMBL3496512 0.89 PRKCQ (0.59) PRKCQAXLTYRO3MERTKEGFR
SCHEMBL3497300 0.89 PRKCQ (0.59) PRKCQEGFRBTKAURKAKDR
SCHEMBL3492920 0.87 PRKCQ (0.75) PRKCQEGFRBTKAURKAAURKB
SCHEMBL3496410 0.87 PRKCQ (0.57) PRKCQAXLTYRO3MERTKEGFR
SCHEMBL3495899 0.87 PRKCQ (0.59) PRKCQAXLEGFRBTKAURKA
SCHEMBL1740239 0.86 PRKCQ (0.63) PRKCQAXLTYRO3MERTKEGFR
SCHEMBL3494068 0.85 PRKCQ (0.62) PRKCQAXLTYRO3MERTKEGFR

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 3/4885AXL 1801/4885TYRO3 852/4885

“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.