SCHEMBL13604128

SCHEMBL13604128

COC(=O)C1Cc2cnccc2N1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.42
GAA P10253 3/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.37
LATS1 O95835 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GLA P06280 1/20 0.36
IGF1R P08069 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4580336 0.87 IGF1R (0.44) NAMPTGAAKMT2ALATS1KDM4E
SCHEMBL13593679 0.84 NAMPT (0.45) NAMPTGAAMAPTKMT2AKDM4E
SCHEMBL31092805 0.82 NAMPT (0.45) NAMPTGAAMAPT
SCHEMBL3989086 0.80 GAA (0.65) GAAMAPTKMT2AKDM4EALDH1A1
SCHEMBL29569853 0.80 GAA (0.65) GAAMAPTKMT2AKDM4EALDH1A1
SCHEMBL644461 0.80 GAA (0.65) GAAMAPTKMT2AKDM4EALDH1A1
SCHEMBL926891 0.80 GAA (0.65) GAAMAPTKMT2AKDM4EALDH1A1
SCHEMBL31092717 0.80 MAPT (0.44) NAMPTGAAMAPTKMT2AKDM4E
SCHEMBL8294430 0.79 KDM4E (0.44) NAMPTGAAMAPTKMT2AKDM4E
SCHEMBL8294431 0.79 KDM4E (0.44) NAMPTGAAMAPTKMT2ALATS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626027-B2 Substituted 1H-pyrrolo[2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase Iε AVENTIS PHARMACEUTICALS INC (US) 2009-12-01 US disclosed
US-20080200496-A1 SUBSTITUTED 1H-PYRROLO[3,2-b, 3,2-c, and 2,3-c]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE Ie AVENTIS PHARMACEUTICALS INC. (US) 2008-08-21 US 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-20080200496-A1 SUBSTITUTED 1H-PYRROLO[3,2-b, 3,2-c, and 2,3-c]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE Ie CSNK1E, CSNK1G3, CSNK2A3 NAMPT 3352/4885GAA 1939/4885MAPT 712/4885

“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.