SCHEMBL298018

SCHEMBL298018

Cc1nc2cc(NC(=O)c3cc4cc(C(F)(F)F)cnc4n3Cc3ccncc3)ccc2s1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.46
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
CASP3 P42574 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
FLT1 P17948 2/20 0.38
KDR P35968 2/20 0.38
NR3C1 P04150 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL298817 0.89 TRPV1 (0.45) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL2813406 0.88 MAPT (0.47) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL297956 0.85 RAB9A (0.47) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL1050725 0.80 TRPV1 (0.43) TRPV1LMNAHIF1AEPAS1FLT1
SCHEMBL298863 0.78 CCR9 (0.51) KMT2A
SCHEMBL1100295 0.77 MAPT (0.47) POLBHIF1AEPAS1MAPT
SCHEMBL1100463 0.77 MAPT (0.47) POLBKMT2AHIF1AEPAS1MAPT
SCHEMBL28790848 0.77 BRAF (0.40) HIF1AEPAS1FLT1KDR
SCHEMBL1100126 0.76 GRIN1 (0.37) RAB9ANPC1LMNAHIF1AEPAS1
SCHEMBL2810493 0.75 MAPT (0.50) TRPV1RAB9ANPC1CASP3SENP7

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 TRPV1 404/4885RAB9A 2865/4885NPC1 2399/4885

“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.