SCHEMBL3496002

SCHEMBL3496002

COc1cc(Nc2ncc(C#N)c(NC3CC(C)(C)NC(C)(C)C3)n2)cc(-n2cnnn2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.47
PRKCQ Q04759 4/20 0.47
NUAK1 O60285 1/20 0.38
LRRK2 Q5S007 5/20 0.38
CSNK2A2 P19784 2/20 0.38
LMNA P02545 1/20 0.37
CDK1 P06493 1/20 0.37
KDR P35968 1/20 0.37
KMT2A Q03164 1/20 0.36
PLK1 P53350 1/20 0.36
CSNK2A1 P68400 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL3495601 0.91 PRKCQ (0.57) SYKPRKCQNUAK1LRRK2CSNK2A2
SCHEMBL3497169 0.88 PRKCQ (0.60) SYKPRKCQLRRK2LMNA
SCHEMBL3497875 0.88 CSNK2A2 (0.49) SYKPRKCQLRRK2CSNK2A2CDK1
SCHEMBL3496289 0.85 PRKCQ (0.65) SYKPRKCQNUAK1LRRK2CSNK2A2
SCHEMBL3494376 0.85 SYK (0.63) SYKPRKCQ
SCHEMBL3494407 0.83 SYK (0.40) SYKPRKCQLRRK2CSNK2A2KDR
SCHEMBL1740739 0.82 SYK (0.41) SYKPRKCQLRRK2CSNK2A2KDR
SCHEMBL428862 0.81 SYK (0.39) SYKPRKCQLRRK2CSNK2A2KDR
SCHEMBL427858 0.80 CSNK2A2 (0.39) SYKPRKCQLRRK2CSNK2A2CSNK2A1
SCHEMBL429240 0.79 SYK (0.38) SYKPRKCQLRRK2CSNK2A2CSNK2A1

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 SYK 460/4885PRKCQ 3/4885NUAK1 1042/4885

“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.