SCHEMBL3495463

SCHEMBL3495463

CN1C(C)(C)CC(Nc2nc(Nc3cc(-c4ccncc4)cc(C(F)(F)F)c3)ncc2F)CC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.52
CTSC P53634 3/20 0.40
MERTK Q12866 4/20 0.39
TYRO3 Q06418 3/20 0.39
AXL P30530 2/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SYK P43405 2/20 0.36
ULK1 O75385 5/20 0.36
EGFR P00533 1/20 0.36
BTK Q06187 1/20 0.36
PTK2 Q05397 1/20 0.35
ULK2 Q8IYT8 2/20 0.35
BRAF P15056 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL3495941 0.92 PRKCQ (0.53) PRKCQCTSCMERTKTYRO3AXL
SCHEMBL3496410 0.89 PRKCQ (0.57) PRKCQCTSCMERTKTYRO3AXL
SCHEMBL3496448 0.88 PRKCQ (0.50) PRKCQCTSCMERTKTYRO3AXL
SCHEMBL3495334 0.87 PRKCQ (0.50) PRKCQCTSCMERTKTYRO3AXL
SCHEMBL3493976 0.86 PRKCQ (0.54) PRKCQAXLCYP1A2CYP2D6CYP2C9
SCHEMBL3494387 0.86 PRKCQ (0.53) PRKCQSYKEGFRBTKKDR
SCHEMBL3496186 0.85 PRKCQ (0.53) PRKCQCTSCMERTKTYRO3AXL
SCHEMBL1742460 0.84 PRKCQ (0.50) PRKCQULK1ULK2
SCHEMBL1739930 0.84 PRKCQ (0.60) PRKCQCTSCMERTKTYRO3AXL
SCHEMBL3495649 0.83 PRKCQ (0.67) PRKCQMERTKTYRO3AXLSYK

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 3/4885CTSC 2841/4885MERTK 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.