SCHEMBL3495006

SCHEMBL3495006

CN1C(C)(C)CC(Nc2nc(Nc3cccc(-c4ccoc4)c3)ncc2F)CC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.51
TYRO3 Q06418 4/20 0.46
MERTK Q12866 3/20 0.46
AURKA O14965 1/20 0.42
EGFR P00533 4/20 0.41
ITK Q08881 2/20 0.41
AXL P30530 1/20 0.41
SYK P43405 5/20 0.41
CCNT1 O60563 3/20 0.41
CCNE1 P24864 3/20 0.41
CDK2 P24941 3/20 0.41
CDK9 P50750 3/20 0.41
BTK Q06187 2/20 0.41
KDR P35968 1/20 0.40

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
SCHEMBL3494582 0.89 PRKCQ (0.51) PRKCQTYRO3MERTKAURKAEGFR
SCHEMBL3494094 0.89 PRKCQ (0.51) PRKCQTYRO3MERTKAURKAEGFR
SCHEMBL3494800 0.88 PRKCQ (0.51) PRKCQTYRO3MERTKAURKAEGFR
SCHEMBL3494095 0.88 PRKCQ (0.51) PRKCQTYRO3MERTKAURKAEGFR
SCHEMBL3496849 0.86 PRKCQ (0.55) PRKCQAURKAEGFRITKSYK
SCHEMBL3494387 0.86 PRKCQ (0.53) PRKCQAURKAEGFRITKSYK
SCHEMBL3495334 0.86 PRKCQ (0.50) PRKCQTYRO3MERTKEGFRAXL
SCHEMBL3495523 0.86 PRKCQ (0.51) PRKCQTYRO3MERTKAURKAEGFR
SCHEMBL3495773 0.86 PRKCQ (0.51) PRKCQTYRO3MERTKAURKAEGFR
SCHEMBL3494322 0.86 PRKCQ (0.52) PRKCQTYRO3MERTKAURKAEGFR

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 3/4885TYRO3 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.