SCHEMBL3496150

SCHEMBL3496150

COCCN1C(=O)COc2cc(Nc3nc(NC4CC(C)(C)N(C)C(C)(C)C4)c(F)c(-c4ccccc4)n3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 5/20 0.36
MET P08581 5/20 0.36
PRKCQ Q04759 1/20 0.35
SYK P43405 2/20 0.34
MEN1 O00255 3/20 0.34
USP2 O75604 3/20 0.34
CYP1A2 P05177 3/20 0.34
CASP1 P29466 3/20 0.34
CASP7 P55210 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
HIF1A Q16665 1/20 0.34
LMNA P02545 2/20 0.34
RET P07949 1/20 0.33
KIF5B P33176 1/20 0.33
KDR P35968 1/20 0.33
ETV6 P41212 1/20 0.33
KCNH2 Q12809 1/20 0.33
CCDC6 Q16204 1/20 0.33

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
SCHEMBL3495849 0.92 INSR (0.36) INSRMETSYKMEN1USP2
SCHEMBL3496261 0.89 PRKCQ (0.38) INSRMETPRKCQMEN1USP2
SCHEMBL3495369 0.81 CYP1A2 (0.42) INSRMETPRKCQSYKMEN1
SCHEMBL3496419 0.80 PRKCQ (0.38) INSRMETPRKCQSYKMEN1
SCHEMBL3493833 0.80 SYK (0.43) INSRMETSYK
SCHEMBL3496148 0.79 PRKCQ (0.41) INSRMETPRKCQRETKIF5B
SCHEMBL3493019 0.78 PRKCQ (0.47) INSRMETPRKCQSYKRET
SCHEMBL3495286 0.78 PRKCQ (0.47) INSRMETPRKCQSYKRET
SCHEMBL3494328 0.78 PRKCQ (0.47) INSRMETPRKCQSYKRET
SCHEMBL3495366 0.74 CSNK2A2 (0.35) INSRMETMEN1USP2CYP1A2

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 INSR 1712/4885MET 2687/4885PRKCQ 3/4885

“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.