SCHEMBL3496874

SCHEMBL3496874

CN1C(C)(C)CC(Nc2nc(Nc3cccc(OC(F)(F)F)c3)ncc2Cl)CC1(C)C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSC P53634 9/20 0.62
SYK P43405 1/20 0.53
PRKCQ Q04759 1/20 0.47
BRD4 O60885 3/20 0.47
EGFR P00533 4/20 0.45
ITK Q08881 2/20 0.45
CCNK O75909 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCND3 P30281 1/20 0.45
CDK9 P50750 1/20 0.45
CDK6 Q00534 1/20 0.45
FLT3 P36888 1/20 0.44

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 0.90 SYK (0.65) CTSCSYKPRKCQEGFRITK
SCHEMBL3494774 0.89 FLT3 (0.55) CTSCSYKPRKCQEGFRCDK2
SCHEMBL3496470 0.89 SYK (0.53) CTSCSYKPRKCQEGFRITK
SCHEMBL3495607 0.81 PRKCQ (0.59) PRKCQBRD4EGFRCCNKCCNA2
SCHEMBL3494811 0.80 SYK (0.63) CTSCSYKPRKCQEGFRITK
SCHEMBL3496562 0.80 PRKCQ (0.53) SYKPRKCQEGFRCCNA2CDK2
SCHEMBL3495332 0.79 PRKCQ (0.58) SYKPRKCQEGFRITKCDK2
SCHEMBL3495184 0.79 PRKCQ (0.57) CTSCSYKPRKCQEGFRCCNA2
SCHEMBL3496523 0.79 STK17B (0.54) PRKCQBRD4FLT3
SCHEMBL29816772 0.77 CTSC (1.00) CTSCSYKBRD4EGFRITK

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 CTSC 2841/4885SYK 460/4885PRKCQ 3/4885

“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.