SCHEMBL3496248

SCHEMBL3496248

CN1C(C)(C)CC(Nc2nc(Nc3ccc4c(c3)oc(=O)n4CCN3CCOCC3)ncc2C#N)CC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.39
SRC P12931 2/20 0.39
CDK1 P06493 4/20 0.39
KDR P35968 4/20 0.39
SIGMAR1 Q99720 1/20 0.38
MAP3K8 P41279 1/20 0.38
LRRK2 Q5S007 3/20 0.38
JAK3 P52333 1/20 0.37

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
SCHEMBL3494650 0.92 EGFR (0.40) EGFRSRCCDK1KDRSIGMAR1
SCHEMBL3495448 0.89 PRKCQ (0.47) EGFRSRCSIGMAR1JAK3
SCHEMBL3497106 0.88 GABRG2 (0.43) LRRK2JAK3
SCHEMBL3495397 0.84 PRKCQ (0.39) LRRK2JAK3
SCHEMBL3496094 0.81 EGFR (0.44) EGFRSRCSIGMAR1JAK3
SCHEMBL1739695 0.80 JAK3 (0.47) EGFRSRCCDK1KDRMAP3K8
SCHEMBL3496517 0.79 PRKCQ (0.49) EGFRSRCCDK1KDRLRRK2
SCHEMBL3495024 0.79 GABRG2 (0.42) KDRLRRK2JAK3
SCHEMBL3496811 0.78 PRKCQ (0.50) EGFRSRCCDK1KDRLRRK2
SCHEMBL3496445 0.76 ULK1 (0.51) LRRK2

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 EGFR 1181/4885SRC 765/4885CDK1 214/4885

“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.