SCHEMBL1099124

SCHEMBL1099124

O=C(Nc1ccc(N2CC(O)C2)nc1)c1cc2nc(C(F)(F)F)ccc2n1Cc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.48
PPARG P37231 2/20 0.40
BRD4 O60885 2/20 0.37
CRACR2A Q9BSW2 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
GNRHR P30968 1/20 0.37
DGAT1 O75907 3/20 0.37
SMO Q99835 1/20 0.36
ECE1 P42892 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
F10 P00742 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36

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
SCHEMBL1100386 0.93 TRPV1 (0.43) TRPV1CRACR2ADGAT1ECE1
SCHEMBL1100362 0.92 PPARG (0.43) TRPV1PPARGKDM4EMAPTRAF1
SCHEMBL1100801 0.91 KDM4E (0.45) TRPV1PPARGCRACR2AKDM4EMAPT
SCHEMBL1100458 0.91 KCNQ3 (0.41) TRPV1PPARGBRD4KDM4EMAPT
SCHEMBL1101007 0.90 TRPV1 (0.43) TRPV1CRACR2AKDM4EMAPTDGAT1
SCHEMBL1100831 0.89 ABL1 (0.43) TRPV1PPARGSMO
SCHEMBL1100827 0.89 PPARG (0.42) TRPV1PPARGKDM4EMAPTDGAT1
SCHEMBL1100804 0.89 TRPV1 (0.49) TRPV1PPARGCRACR2AKDM4EMAPT
SCHEMBL1101323 0.89 TRPV1 (0.40) TRPV1CRACR2AKDM4EMAPTDGAT1
SCHEMBL1099402 0.85 ECE1 (0.48) CRACR2AECE1

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 TRPV1 2255/4885PPARG 513/4885BRD4 161/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 TRPV1 2255/4885PPARG 513/4885BRD4 161/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 TRPV1 2255/4885PPARG 513/4885BRD4 161/4885

“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.