SCHEMBL1099735

SCHEMBL1099735

O=C(Nc1ccc(N2CC(O)C2)nc1)c1cc2cccnc2n1Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.44
SMO Q99835 2/20 0.42
PGR P06401 1/20 0.42
GPR183 P32249 1/20 0.42
PPARG P37231 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
F2RL3 Q96RI0 1/20 0.39
FLT1 P17948 1/20 0.39
KDR P35968 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
SCHEMBL1100754 0.91 PPARG (0.41) ABL1PPARGF2RL3FLT1KDR
SCHEMBL1100135 0.90 ABL1 (0.43) ABL1SMOPGRGPR183PPARG
SCHEMBL1099248 0.90 ROCK2 (0.43)
Trifluoroacetic Acid SCHEMBL1100882 0.90 ROCK2 (0.40) PPARGTRPV1
SCHEMBL1100807 0.90 ABL1 (0.43) ABL1SMOPGRGPR183PPARG
SCHEMBL1100694 0.90 ABL1 (0.43) ABL1SMOPGRGPR183PPARG
SCHEMBL1101089 0.89 PPARG (0.42) PPARGTRPV1
Trifluoroacetic Acid SCHEMBL1100621 0.88 ABL1 (0.42) ABL1SMOPGRGPR183PPARG
SCHEMBL9105446 0.87 ABL1 (0.43) ABL1SMOPGRGPR183PPARG
SCHEMBL1100836 0.87 ABL1 (0.43) ABL1SMOPGRGPR183PPARG

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-8716272-B2 N-(amino-heteroaryI)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI (FR) 2014-05-06 US disclosed
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
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 ABL1 12/4885SMO 4344/4885PGR 3627/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 ABL1 12/4885SMO 4344/4885PGR 3627/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 ABL1 12/4885SMO 4344/4885PGR 3627/4885

“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.