SCHEMBL298001

SCHEMBL298001

Cc1nc2cc(NC(=O)c3cc4cccnc4n3-c3ccccn3)ccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 3/20 0.49
POLB P06746 2/20 0.49
HSD17B10 Q99714 1/20 0.49
RAB9A P51151 11/20 0.48
NPC1 O15118 10/20 0.48
TRPV1 Q8NER1 2/20 0.48
CASP3 P42574 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
PKM P14618 1/20 0.44
TP53 P04637 1/20 0.43
SENP8 Q96LD8 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
LDHA P00338 1/20 0.42

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
SCHEMBL297721 0.87 LMNA (0.48) ALDH1A1MAPTPOLBRAB9ANPC1
SCHEMBL297279 0.85 MAPT (0.49) ALDH1A1MAPTPOLBRAB9ANPC1
SCHEMBL297956 0.79 RAB9A (0.47) ALDH1A1MAPTKDM4EPOLBRAB9A
SCHEMBL2810493 0.76 MAPT (0.50) ALDH1A1MAPTKDM4EPOLBRAB9A
Hydrochloric Acid SCHEMBL2815089 0.76 MAPT (0.49) ALDH1A1MAPTKDM4EPOLBRAB9A
SCHEMBL4468094 0.74 TRPV1 (0.62) ALDH1A1MAPTKDM4EPOLBRAB9A
SCHEMBL298304 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBLMNAKMT2A
SCHEMBL4970699 0.72 TRPV1 (0.60) ALDH1A1MAPTPOLBRAB9ANPC1
SCHEMBL30369793 0.72 RAB9A (0.81) ALDH1A1MAPTKDM4EPOLBRAB9A
SCHEMBL2811761 0.70 NPC1 (0.53) MAPTKDM4EPOLBRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2106401-B1 DERIVATIVES OF PYRROLOPYRIDINE-2-CARBOXAMIDS, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2012-03-14 EP disclosed
US-8044066-B2 Derivatives of pyrrolopyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2011-10-25 US disclosed
US-20090298865-A1 Derivatives of pyrrolopyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-12-03 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-20090298865-A1 Derivatives of pyrrolopyridine-2-carboxamides, preparation thereof and therapeutic application thereof PYCR1, ATP5PD, NQO2 ALDH1A1 854/4885MAPT 3376/4885KDM4E 1410/4885

“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.