SCHEMBL3496186

SCHEMBL3496186

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.53
KDR P35968 2/20 0.40
CTSC P53634 1/20 0.40
TYRO3 Q06418 2/20 0.40
MERTK Q12866 2/20 0.40
AXL P30530 1/20 0.40
CDK4 P11802 1/20 0.39
CDK2 P24941 1/20 0.39
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
ULK1 O75385 9/20 0.38
ULK2 Q8IYT8 3/20 0.38
EGFR P00533 1/20 0.36
BTK Q06187 1/20 0.36
AURKB Q96GD4 1/20 0.36
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL3496410 0.93 PRKCQ (0.57) PRKCQKDRCTSCTYRO3MERTK
SCHEMBL3493962 0.89 PRKCQ (0.55) PRKCQCDK2ULK1ULK2LRRK2
SCHEMBL3495649 0.87 PRKCQ (0.67) PRKCQTYRO3MERTKAXLCDK4
SCHEMBL1742512 0.85 PRKCQ (0.56) PRKCQCTSCTYRO3MERTKAXL
SCHEMBL3496448 0.85 PRKCQ (0.50) PRKCQKDRCTSCTYRO3MERTK
SCHEMBL3495463 0.85 PRKCQ (0.52) PRKCQKDRCTSCTYRO3MERTK
SCHEMBL3496348 0.84 PRKCQ (0.53) PRKCQCDK2ULK1ULK2
SCHEMBL3496950 0.83 KDR (0.61) PRKCQKDRCDK2EGFRBTK
SCHEMBL3495941 0.83 PRKCQ (0.53) PRKCQKDRCTSCTYRO3MERTK
SCHEMBL3493781 0.83 PRKCQ (0.56) PRKCQKDRAXLCDK2CLK4

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 3/4885KDR 971/4885CTSC 2841/4885

“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.