SCHEMBL3495366

SCHEMBL3495366

COCCN1C(=O)COc2cc(-c3ccccc3Nc3ncc(C#N)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 3/20 0.35
CSNK2A1 P68400 3/20 0.35
PKMYT1 Q99640 2/20 0.35
RET P07949 2/20 0.35
KIF5B P33176 2/20 0.35
KDR P35968 2/20 0.35
ETV6 P41212 2/20 0.35
KCNH2 Q12809 2/20 0.35
CCDC6 Q16204 2/20 0.35
LRRK2 Q5S007 7/20 0.34
EGFR P00533 1/20 0.34
SLC2A1 P11166 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 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
SCHEMBL3496130 0.93 CSNK2A2 (0.35) CSNK2A2CSNK2A1PKMYT1LRRK2EGFR
SCHEMBL3494264 0.91 LRRK2 (0.36) CSNK2A2CSNK2A1PKMYT1RETKIF5B
SCHEMBL3496148 0.90 PRKCQ (0.41) CSNK2A2CSNK2A1RETKIF5BKDR
SCHEMBL3493831 0.88 SYK (0.45) RETKIF5BKDRETV6KCNH2
SCHEMBL3495241 0.83 LRRK2 (0.36) CSNK2A2CSNK2A1PKMYT1LRRK2EGFR
SCHEMBL3495846 0.83 INSR (0.36) CSNK2A2CSNK2A1LRRK2EGFRINSR
SCHEMBL3495369 0.81 CYP1A2 (0.42) MEN1USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL3496258 0.81 PRKCQ (0.41) RETKIF5BKDRETV6KCNH2
SCHEMBL3494871 0.81 SYK (0.45)
SCHEMBL3495610 0.81 RORC (0.43) CSNK2A2CSNK2A1PKMYT1RETKDR

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 9 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-2185537-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-05-19 EP disclosed
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO 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 CSNK2A2 643/4885CSNK2A1 617/4885PKMYT1 155/4885

“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.