SCHEMBL1100786

SCHEMBL1100786

O=C(Nc1ccc(N2CCC2)nc1)c1cc2cccnc2n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.47
CNR2 P34972 4/20 0.47
DGAT1 O75907 12/20 0.46
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL1101032 0.95 DGAT1 (0.45) CNR1CNR2DGAT1KCNQ3KCNQ2
SCHEMBL1100494 0.93 CNR1 (0.49) CNR1CNR2DGAT1KCNQ3KCNQ2
SCHEMBL1100988 0.92 HTT (0.46) CNR1CNR2DGAT1KCNQ3KCNQ2
SCHEMBL1100783 0.92 L3MBTL1 (0.47) CNR1CNR2DGAT1KCNQ3KCNQ2
SCHEMBL1100196 0.90 GAA (0.46) DGAT1KCNQ3KCNQ2RAB9AKDM4E
SCHEMBL1100061 0.90 FASN (0.45) DGAT1RAB9AL3MBTL1
SCHEMBL1100473 0.89 CNR1 (0.45) CNR1CNR2DGAT1KDM4EMEN1
SCHEMBL1099159 0.88 DGAT1 (0.47) DGAT1KDM4EMEN1CYP1A2CYP3A4
SCHEMBL1100841 0.88 MAPT (0.46) DGAT1KCNQ3KCNQ2KDM4EMEN1
SCHEMBL1100994 0.88 DGAT1 (0.51) DGAT1KCNQ3KCNQ2RAB9A

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 CNR1 234/4885CNR2 75/4885DGAT1 3777/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 CNR1 234/4885CNR2 75/4885DGAT1 3777/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 CNR1 234/4885CNR2 75/4885DGAT1 3777/4885

“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.