SCHEMBL297956

SCHEMBL297956

Cc1nc2cc(NC(=O)c3cc4cccnc4n3Cc3ccncc3)ccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.47
NPC1 O15118 9/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CASP3 P42574 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
TRPV1 Q8NER1 2/20 0.46
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.41
RPS6KA2 Q15349 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL2810493 0.88 MAPT (0.50) RAB9ANPC1RXFP1CASP3SENP7
Hydrochloric Acid SCHEMBL2815089 0.87 MAPT (0.49) RAB9ANPC1RXFP1CASP3SENP7
SCHEMBL298817 0.87 TRPV1 (0.45) RAB9ANPC1RXFP1CASP3SENP7
SCHEMBL298018 0.85 TRPV1 (0.46) RAB9ANPC1RXFP1CASP3SENP7
SCHEMBL297721 0.84 LMNA (0.48) RAB9ANPC1RXFP1CASP3SENP7
SCHEMBL297607 0.82 RAB9A (0.51) RAB9ANPC1POLBTDP1LMNA
SCHEMBL297279 0.79 MAPT (0.49) RAB9ANPC1RXFP1CASP3SENP7
SCHEMBL298001 0.79 ALDH1A1 (0.49) RAB9ANPC1RXFP1CASP3SENP7
SCHEMBL4021153 0.76 KDR (0.62) RAB9ANPC1RXFP1CASP3SENP7
SCHEMBL2817363 0.76 MAPT (0.50) RAB9ANPC1RXFP1CASP3SENP7

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 RAB9A 2865/4885NPC1 2399/4885RXFP1 3195/4885

“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.