SCHEMBL3495489

SCHEMBL3495489

CN1C(C)(C)CC(Nc2nc(Nc3ccc(N4CCCC4)c(C#N)c3)ncc2F)CC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.50
CSF1R P07333 2/20 0.44
CDK4 P11802 1/20 0.44
CDK6 Q00534 1/20 0.44
TBK1 Q9UHD2 4/20 0.43
SYK P43405 4/20 0.43
KDR P35968 2/20 0.43
PAK1 Q13153 2/20 0.43
FLT3 P36888 2/20 0.43
BTK Q06187 2/20 0.43
EGFR P00533 2/20 0.43
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
DCLK1 O15075 1/20 0.43
PDPK1 O15530 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 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
SCHEMBL3497842 0.94 KDR (0.50) PRKCQCSF1RCDK4CDK6TBK1
SCHEMBL1741120 0.90 PRKCQ (0.46) PRKCQCSF1RCDK4CDK6TBK1
SCHEMBL3496000 0.89 PRKCQ (0.54) PRKCQSYKBTKEGFRAURKA
SCHEMBL3497992 0.89 PRKCQ (0.54) PRKCQSYKBTKEGFRAURKA
SCHEMBL3496243 0.89 PRKCQ (0.49) PRKCQCSF1RCDK4CDK6TBK1
SCHEMBL3496812 0.88 PRKCQ (0.55) PRKCQCSF1RTBK1SYKKDR
SCHEMBL3495391 0.87 PRKCQ (0.52) PRKCQSYKBTKEGFRJAK2
SCHEMBL3496589 0.86 PRKCQ (0.50) PRKCQCSF1RCDK4CDK6TBK1
SCHEMBL3494951 0.85 PRKCQ (0.49) PRKCQCSF1RCDK4CDK6TBK1
SCHEMBL3497242 0.85 PRKCQ (0.52) PRKCQSYKBTKEGFRJAK2

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 3/4885CSF1R 2386/4885CDK4 510/4885

“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.