SCHEMBL3494833

SCHEMBL3494833

CN1C(C)(C)CC(Nc2ccnc(Nc3cccc(C#N)c3)n2)CC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 1/20 0.47
CDK4 P11802 2/20 0.46
CDK2 P24941 2/20 0.46
SMG1 Q96Q15 1/20 0.44
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
SYK P43405 4/20 0.44
SLC2A1 P11166 2/20 0.43
CDC7 O00311 1/20 0.43
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
MAOB P27338 1/20 0.40
GRM5 P41594 1/20 0.40
PRKDC P78527 1/20 0.40
EGFR P00533 1/20 0.40
BRD4 O60885 1/20 0.40
IGF1R P08069 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
SCHEMBL3494922 0.82 SYK (0.51) SYKCDC7MAOBGRM5EGFR
SCHEMBL3496522 0.82 SYK (0.64) SYKCDC7MAOBGRM5EGFR
SCHEMBL3495869 0.78 SYK (0.46) GSK3BSYKMAOBGRM5EGFR
SCHEMBL3495467 0.78 SYK (0.57) SYK
SCHEMBL582624 0.77 EPHB4 (0.58) EPHB4CDK4CDK2SMG1GSK3B
SCHEMBL3495683 0.75 IGF1R (0.52) EPHB4CDC7EGFRBRD4IGF1R
SCHEMBL3495855 0.75 BRD4 (0.45) SYKEGFRBRD4
SCHEMBL3495508 0.72 SYK (0.53) CDK4CDK2GSK3BDYRK1ASYK
SCHEMBL3495028 0.71 CDK4 (0.60) CDK4CDK2GSK3BSLC2A1BRD4
SCHEMBL3496111 0.71 SYK (0.58) CDK2SYKCDC7MAOBGRM5

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 EPHB4 2829/4885CDK4 510/4885CDK2 129/4885

“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.