SCHEMBL1101007

SCHEMBL1101007

O=C(Nc1ccc(N2CC(O)C2)nc1)c1cc2nc(C(F)(F)F)ccc2n1Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.43
MAPT P10636 5/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 4/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL1101323 0.94 TRPV1 (0.40) TRPV1MAPTTP53KDM4ECYP1A2
SCHEMBL1100386 0.94 TRPV1 (0.43) TRPV1CRACR2ADGAT1ECE1
SCHEMBL1100854 0.90 KDM4E (0.45) MAPTTP53NPSR1MAPK1ALDH1A1
SCHEMBL1099124 0.90 TRPV1 (0.48) TRPV1MAPTKDM4ERAF1BRAF
SCHEMBL1100362 0.89 PPARG (0.43) TRPV1MAPTALDH1A1KDM4ERAF1
SCHEMBL1100801 0.88 KDM4E (0.45) TRPV1MAPTNPSR1MAPK1KDM4E
SCHEMBL1099402 0.88 ECE1 (0.48) CRACR2AECE1
SCHEMBL1100054 0.88 TRPV1 (0.43) TRPV1MAPTTP53NPSR1MAPK1
Trifluoroacetic Acid SCHEMBL1100864 0.87 KDM4E (0.42) MAPTTP53NPSR1MAPK1ALDH1A1
SCHEMBL1100827 0.86 PPARG (0.42) TRPV1MAPTTP53MAPK1ALDH1A1

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 TRPV1 2255/4885MAPT 4029/4885TP53 2767/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 TRPV1 2255/4885MAPT 4029/4885TP53 2767/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 TRPV1 2255/4885MAPT 4029/4885TP53 2767/4885

“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.