SCHEMBL1100633

SCHEMBL1100633

O=C(Nc1ccc(N2CC(O)C2)nc1)c1cc2cc(F)cnc2n1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.43
BRAF P15056 4/20 0.43
TRPV1 Q8NER1 2/20 0.43
PPARG P37231 5/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
STAT3 P40763 1/20 0.39
POLB P06746 1/20 0.38
CRACR2A Q9BSW2 2/20 0.38
DGAT1 O75907 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL1099513 0.94 MAPT (0.44) RAF1BRAFTRPV1PPARGMAPT
SCHEMBL1099691 0.91 TRPV1 (0.43) RAF1BRAFTRPV1PPARGMAPT
SCHEMBL1100617 0.91 KDM4E (0.46) PPARGMAPTKDM4ESMN1; SMN2STAT3
SCHEMBL1101089 0.90 PPARG (0.42) RAF1BRAFTRPV1PPARGMAPT
SCHEMBL1101330 0.90 DGAT1 (0.41) TRPV1MAPTSMN1; SMN2DGAT1
SCHEMBL14972747 0.89 TRPV1 (0.45) RAF1BRAFTRPV1MAPTKDM4E
SCHEMBL1100406 0.89 MAPK1 (0.44) RAF1BRAFTRPV1MAPTKDM4E
SCHEMBL1100554 0.89 TRPV1 (0.47) TRPV1MAPTKDM4EDGAT1
SCHEMBL1100135 0.89 ABL1 (0.43) TRPV1PPARG
SCHEMBL1099653 0.88 CNR2 (0.41) TRPV1MAPTKDM4ESMN1; SMN2DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716273-B2 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI (FR) 2014-05-06 US disclosed
US-8716272-B2 N-(amino-heteroaryI)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI (FR) 2014-05-06 US disclosed
EP-2125811-B1 N-(AMINO-HETEROARYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDES DERIVATIVES, PREPARATION THEREOF AND THEIR USE IN THERAPY SANOFI SA (FR) 2013-05-29 EP disclosed
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-06-07 US disclosed
US-20120142670-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-06-07 US disclosed
US-8153650-B2 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2010-02-18 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-20120142670-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 RAF1 3230/4885BRAF 2247/4885TRPV1 2255/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 RAF1 3230/4885BRAF 2247/4885TRPV1 2255/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 RAF1 3230/4885BRAF 2247/4885TRPV1 2255/4885

“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.