SCHEMBL1100149

SCHEMBL1100149

O=C(Nc1ccc(Cl)nc1)c1cc2cc(C(F)(F)F)cnc2n1Cc1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 9/20 0.49
KCNQ2 O43526 9/20 0.49
KCNE1 P15382 8/20 0.49
KCNQ1 P51787 8/20 0.49
ECE1 P42892 1/20 0.45
BACE1 P56817 1/20 0.41
NR3C1 P04150 2/20 0.41
PPARG P37231 3/20 0.41
MAOB P27338 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
SCD O00767 1/20 0.40
SCD5 Q86SK9 1/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL1099566 0.91 KCNQ3 (0.48) KCNQ3KCNQ2KCNE1KCNQ1NR3C1
SCHEMBL1100150 0.90 ECE1 (0.45) ECE1NR3C1PPARGMAOBGRIN1
SCHEMBL1101536 0.88 NPC1 (0.42) ECE1NR3C1PPARGMAOBCYP1A2
SCHEMBL1100887 0.87 ECE1 (0.48) ECE1PPARGMAOBGRIN1GRIN2B
SCHEMBL1101510 0.87 CXCR1 (0.40) NR3C1PPARGMAOBCYP1A2CYP3A4
SCHEMBL1100996 0.86 KCNQ3 (0.49) KCNQ3KCNQ2KCNE1KCNQ1ECE1
SCHEMBL1100431 0.86 MAPT (0.47) KCNQ3KCNQ2MAPT
SCHEMBL1100420 0.86 RAB9A (0.42) ECE1NR3C1PPARGMAOBCYP1A2
SCHEMBL1101077 0.86 MAPT (0.47) KCNQ3KCNQ2MAPT
SCHEMBL1100345 0.86 MAPT (0.42) PPARGMAPT

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 KCNQ3 929/4885KCNQ2 976/4885KCNE1 1677/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KCNQ3 929/4885KCNQ2 976/4885KCNE1 1677/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KCNQ3 929/4885KCNQ2 976/4885KCNE1 1677/4885

“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.