SCHEMBL3495863

SCHEMBL3495863

CN1C(C)(C)CC(Nc2nc(Nc3ccc4c(c3)oc(=O)n4C)ncc2F)CC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.53
JAK3 P52333 4/20 0.49
JAK1 P23458 2/20 0.49
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
SYK P43405 4/20 0.44
GPR55 Q9Y2T6 1/20 0.40
LRRK2 Q5S007 2/20 0.39
EGFR P00533 5/20 0.38
BTK Q06187 4/20 0.38
KDM4E B2RXH2 1/20 0.38
ITK Q08881 3/20 0.38
BMX P51813 1/20 0.38
CDK2 P24941 2/20 0.38
KDR P35968 2/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38

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
SCHEMBL3496811 0.90 PRKCQ (0.50) PRKCQJAK3JAK1GABRG2GABRB3
SCHEMBL3494678 0.90 PRKCQ (0.50) PRKCQJAK3JAK1GABRG2GABRB3
SCHEMBL3496517 0.89 PRKCQ (0.49) PRKCQJAK3JAK1GABRG2GABRB3
SCHEMBL3495448 0.86 PRKCQ (0.47) PRKCQJAK3SYKEGFRBTK
SCHEMBL3495777 0.85 PRKCQ (0.53) PRKCQJAK3JAK1SYKLRRK2
SCHEMBL3493357 0.85 PRKCQ (0.48) PRKCQJAK3JAK1SYKLRRK2
SCHEMBL3495899 0.82 PRKCQ (0.59) PRKCQJAK3SYKLRRK2EGFR
SCHEMBL3497165 0.82 SYK (0.60) PRKCQSYKEGFRKDRCDC7
SCHEMBL3493320 0.81 PRKCQ (0.54) PRKCQJAK3SYKLRRK2EGFR
SCHEMBL3494449 0.80 PRKCQ (0.56) PRKCQJAK3GABRG2GABRB3GABRA5

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 PRKCQ 3/4885JAK3 309/4885JAK1 292/4885

“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.