SCHEMBL1100347

SCHEMBL1100347

O=C(Nc1ccc(N2CCC2)nc1)c1cc2ccncc2n1Cc1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 16/20 0.53
DGAT1 O75907 2/20 0.50
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL1100282 0.90 ECE1 (0.51) ECE1DGAT1NPC1RAB9A
SCHEMBL1101472 0.88 DGAT1 (0.45) DGAT1KCNQ3KCNQ2RAB9A
SCHEMBL1101489 0.87 KCNQ3 (0.47) DGAT1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL1100994 0.85 DGAT1 (0.51) ECE1DGAT1KCNQ3KCNQ2NPC1
SCHEMBL1099821 0.84 DGAT1 (0.49) ECE1DGAT1KCNQ3KCNQ2NPC1
SCHEMBL1100162 0.83 RAB9A (0.47) DGAT1KCNQ3KCNQ2RAB9A
SCHEMBL1100851 0.82 CCR2 (0.43) DGAT1KCNQ3KCNQ2RAB9A
SCHEMBL1099301 0.82 ECE1 (0.46) ECE1DGAT1KCNQ3KCNQ2RAB9A
SCHEMBL1100873 0.82 ECE1 (0.49) ECE1DGAT1KCNQ3KCNQ2NPC1
SCHEMBL1100186 0.82 PPARG (0.46) DGAT1

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 ECE1 2037/4885DGAT1 3777/4885KCNQ3 929/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 ECE1 2037/4885DGAT1 3777/4885KCNQ3 929/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 ECE1 2037/4885DGAT1 3777/4885KCNQ3 929/4885

“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.