SCHEMBL3776728

SCHEMBL3776728

CCOC(=O)c1cn2cc(N3C=CNN3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.45
GABRA2 P47869 6/20 0.45
GABRB2 P47870 6/20 0.45
RAB9A P51151 5/20 0.44
NPC1 O15118 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS2 P35354 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1734155 0.83 PTGS1 (0.46) KDM4EPOLBRAB9ANPC1RXFP1
SCHEMBL871014 0.77 KDM4E (0.69) KDM4EPOLBGAAGABRA2GABRB2
SCHEMBL21033293 0.76 KDM4E (0.55) KDM4EPOLBGAAGABRA2GABRB2
SCHEMBL741904 0.76 KDM4E (0.64) KDM4EPOLBGAAGABRA2GABRB2
SCHEMBL21033712 0.76 KDM4E (0.60) KDM4EPOLBGAAGABRA2GABRB2
Hydrochloric Acid SCHEMBL21223028 0.75 KDM4E (0.63) KDM4EPOLBGAAGABRA2GABRB2
SCHEMBL118658 0.74 KDM4E (0.66) KDM4EPOLBGAAGABRA2GABRB2
SCHEMBL1500236 0.73 KDM4E (0.64) KDM4EPOLBGAAGABRA2GABRB2
SCHEMBL70705 0.73 KDM4E (0.64) KDM4EPOLBGAAGABRA2GABRB2
SCHEMBL3545619 0.73 KDM4E (0.64) KDM4EPOLBGAAGABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691990-B2 6-heterocyclic imidazo[1,2-α]pyridine-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-04-08 US disclosed
US-20130041152-A1 6-HETEROCYCLIC IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF PEYRONEL JEAN-FRANCOIS (FR) 2013-02-14 US disclosed
US-8314109-B2 6-heterocyclic-imidazo[1,2-α]pyridine-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2012-11-20 US disclosed
US-20100317675-A1 6-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-12-16 US disclosed
US-20100317686-A1 N-HETEROCYCLIC-6-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-12-16 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 (3 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-20130041152-A1 6-HETEROCYCLIC IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF XDH, REN, IDH2 KDM4E 2724/4885POLB 3310/4885GAA 763/4885
US-20100317675-A1 6-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF REN, IDH2, GLS KDM4E 2460/4885POLB 3774/4885GAA 1071/4885
US-20100317686-A1 N-HETEROCYCLIC-6-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF IDH1, IDH2, XDH KDM4E 2759/4885POLB 3859/4885GAA 897/4885

“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.