SCHEMBL3496979

SCHEMBL3496979

CN1CCN(c2ccc(Nc3ncc(F)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)cc2)CC1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.51
BRD4 O60885 4/20 0.49
SYK P43405 12/20 0.47
EGFR P00533 1/20 0.44
ALK Q9UM73 1/20 0.44
FLT3 P36888 1/20 0.44
BTK Q06187 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
SCHEMBL3495580 0.91 PRKCQ (0.54) PRKCQBRD4SYKEGFRALK
SCHEMBL1743513 0.90 PRKCQ (0.51) PRKCQBRD4SYKEGFRALK
SCHEMBL3495554 0.89 PRKCQ (0.53) PRKCQBRD4SYKEGFRALK
SCHEMBL3494978 0.88 PRKCQ (0.49) PRKCQBRD4SYKEGFRALK
SCHEMBL3494498 0.88 PRKCQ (0.49) PRKCQBRD4SYKEGFRALK
SCHEMBL3497844 0.88 PRKCQ (0.49) PRKCQBRD4SYKEGFRALK
SCHEMBL3495394 0.88 BRD4 (0.59) PRKCQBRD4SYKEGFRALK
SCHEMBL3496226 0.87 BRD4 (0.51) PRKCQBRD4SYKEGFRALK
SCHEMBL3496191 0.86 BRD4 (0.50) PRKCQBRD4SYKALKFLT3
SCHEMBL3496323 0.84 PRKCQ (0.48) PRKCQBRD4SYKEGFRALK

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 3/4885BRD4 1173/4885SYK 460/4885

“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.