SCHEMBL3494403

SCHEMBL3494403

COc1cc(Nc2ncc(C#N)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)cc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.57
NUAK1 O60285 1/20 0.47
PLK1 P53350 1/20 0.42
SRC P12931 1/20 0.42
CSNK2A2 P19784 3/20 0.42
CSNK2A1 P68400 3/20 0.42
CDK1 P06493 2/20 0.42
KDR P35968 2/20 0.42
BRD4 O60885 1/20 0.41
LRRK2 Q5S007 5/20 0.41
ULK1 O75385 1/20 0.41
ULK2 Q8IYT8 1/20 0.41
IGF1R P08069 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL3496516 0.90 PRKCQ (0.57) PRKCQNUAK1CSNK2A2CSNK2A1BRD4
SCHEMBL3496431 0.88 PRKCQ (0.55) PRKCQNUAK1CSNK2A2CSNK2A1BRD4
SCHEMBL3495601 0.88 PRKCQ (0.57) PRKCQNUAK1PLK1CSNK2A2CSNK2A1
SCHEMBL3495376 0.87 PRKCQ (0.47) PRKCQCSNK2A2CSNK2A1LRRK2ULK1
SCHEMBL3493786 0.87 PRKCQ (0.79) PRKCQNUAK1PLK1CSNK2A2CSNK2A1
SCHEMBL3494481 0.86 PRKCQ (0.63) PRKCQBRD4ULK1ULK2IGF1R
SCHEMBL3496305 0.86 PRKCQ (0.60) PRKCQNUAK1KDRBRD4ULK1
SCHEMBL3492920 0.85 PRKCQ (0.75) PRKCQBRD4ULK1ULK2
SCHEMBL3495607 0.85 PRKCQ (0.59) PRKCQBRD4ULK1ULK2
SCHEMBL3496953 0.85 PRKCQ (0.59) PRKCQKDRBRD4ULK1ULK2

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 3/4885NUAK1 1042/4885PLK1 91/4885

“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.