SCHEMBL3496391

SCHEMBL3496391

CC(C)N1C(=O)COc2cc(Nc3ncc(F)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.47
SYK P43405 11/20 0.43
BTK Q06187 2/20 0.40
BMX P51813 1/20 0.40
INSR P06213 2/20 0.39
MET P08581 2/20 0.39
CDK4 P11802 2/20 0.39
CDK6 Q00534 2/20 0.39
KDR P35968 2/20 0.38
EGFR P00533 2/20 0.38
ITK Q08881 2/20 0.38
CSF1R P07333 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
DCLK1 O15075 1/20 0.38
PDPK1 O15530 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 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
SCHEMBL3496434 0.90 SYK (0.51) PRKCQSYKBTKBMXINSR
SCHEMBL3493019 0.87 PRKCQ (0.47) PRKCQSYKBTKBMXINSR
SCHEMBL3497196 0.87 PRKCQ (0.47) PRKCQSYKBTKBMXINSR
SCHEMBL3495286 0.87 PRKCQ (0.47) PRKCQSYKBTKBMXINSR
SCHEMBL3494328 0.87 PRKCQ (0.47) PRKCQSYKBTKBMXINSR
SCHEMBL3497303 0.82 PRKCQ (0.48) PRKCQSYKBTKBMXINSR
SCHEMBL3496192 0.80 PRKCQ (0.49) PRKCQSYKBTKBMXINSR
SCHEMBL3494055 0.80 ULK1 (0.56) PRKCQSYKBTKBMXCHEK1
SCHEMBL3494882 0.80 SYK (0.62) PRKCQSYKBTKBMXEGFR
SCHEMBL3494631 0.80 PRKCQ (0.49) PRKCQSYKBTKBMXINSR

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 3/4885SYK 460/4885BTK 97/4885

“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.