SCHEMBL3495332

SCHEMBL3495332

CN1C(C)(C)CC(Nc2nc(Nc3cccc(OC(F)F)c3)ncc2F)CC1(C)C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.58
EGFR P00533 6/20 0.52
ITK Q08881 4/20 0.52
SYK P43405 7/20 0.51
BTK Q06187 2/20 0.51
AURKA O14965 2/20 0.46
CCNT1 O60563 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
CDK9 P50750 2/20 0.44
BCDIN3D Q7Z5W3 1/20 0.43

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
SCHEMBL3495877 0.89 SYK (0.65) PRKCQEGFRITKSYKBTK
SCHEMBL3496207 0.86 PRKCQ (0.55) PRKCQEGFRITKSYKBTK
SCHEMBL1742512 0.85 PRKCQ (0.56) PRKCQEGFRITKSYKBTK
SCHEMBL3495547 0.85 SYK (0.65) SYK
SCHEMBL3495553 0.84 PRKCQ (0.61) PRKCQEGFRITKSYKBTK
SCHEMBL1741121 0.84 PRKCQ (0.57) PRKCQEGFRITKAURKA
SCHEMBL3494065 0.84 SYK (0.61) PRKCQSYKAURKA
SCHEMBL3496950 0.84 KDR (0.61) PRKCQEGFRITKSYKBTK
SCHEMBL1741325 0.84 PRKCQ (0.49) PRKCQEGFRITKSYKBTK
SCHEMBL1742536 0.82 PRKCQ (0.51) PRKCQEGFRITKSYK

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 3/4885EGFR 1181/4885ITK 1065/4885

“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.