SCHEMBL3496552

SCHEMBL3496552

CN1CCN(c2ccc(Nc3ncc(Cl)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)cc2)CC1C#N

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.46
CCNK O75909 7/20 0.43
CCND3 P30281 7/20 0.43
CDK9 P50750 7/20 0.43
CDK6 Q00534 7/20 0.43
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
BRD4 O60885 8/20 0.43
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43

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
SCHEMBL3497844 0.91 PRKCQ (0.49) ALKBRD4
SCHEMBL3496131 0.89 ULK1 (0.45) ALKBRD4
SCHEMBL3496819 0.88 ALK (0.49) ALKCCNKCCND3CDK9CDK6
SCHEMBL1743519 0.82 SLC2A1 (0.44) ALKCCNKCCND3CDK9CDK6
SCHEMBL3494605 0.80 BRD4 (0.47) CCNKCCND3CDK9CDK6CCNA2
SCHEMBL1743513 0.79 PRKCQ (0.51) ALKCCNKCCND3CDK9CDK6
SCHEMBL3496979 0.78 PRKCQ (0.51) ALKBRD4
SCHEMBL3496551 0.78 PAK1 (0.57) ALKCDK9BRD4JAK2
SCHEMBL3495490 0.78 PRKCQ (0.49) ALKBRD4
SCHEMBL3493784 0.78 JAK2 (0.45) ALKJAK2JAK1

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 ALK 582/4885CCNK 440/4885CCND3 1855/4885

“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.