SCHEMBL3496410

SCHEMBL3496410

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.57
MERTK Q12866 4/20 0.44
TYRO3 Q06418 3/20 0.44
AXL P30530 2/20 0.44
CTSC P53634 2/20 0.43
EGFR P00533 2/20 0.39
BTK Q06187 1/20 0.39
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38
ULK1 O75385 8/20 0.38
ULK2 Q8IYT8 3/20 0.38
ITK Q08881 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL3496186 0.93 PRKCQ (0.53) PRKCQMERTKTYRO3AXLCTSC
SCHEMBL3495649 0.92 PRKCQ (0.67) PRKCQMERTKTYRO3AXLEGFR
SCHEMBL3496448 0.89 PRKCQ (0.50) PRKCQMERTKTYRO3AXLCTSC
SCHEMBL1742512 0.89 PRKCQ (0.56) PRKCQMERTKTYRO3AXLCTSC
SCHEMBL3495463 0.89 PRKCQ (0.52) PRKCQMERTKTYRO3AXLCTSC
SCHEMBL3495941 0.88 PRKCQ (0.53) PRKCQMERTKTYRO3AXLCTSC
SCHEMBL3493194 0.87 PRKCQ (0.61) PRKCQAXLEGFRBTKKDR
SCHEMBL3495009 0.87 PRKCQ (0.61) PRKCQMERTKTYRO3AXLEGFR
SCHEMBL3493962 0.87 PRKCQ (0.55) PRKCQULK1ULK2
SCHEMBL1739930 0.87 PRKCQ (0.60) PRKCQMERTKTYRO3AXLCTSC

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 3 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

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 3/4885MERTK 573/4885TYRO3 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.