SCHEMBL1100458

SCHEMBL1100458

O=C(Nc1ccc(N2CCC2)nc1)c1cc2nc(C(F)(F)F)ccc2n1Cc1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PPARG P37231 2/20 0.41
DGAT1 O75907 7/20 0.40
KLKB1 P03952 1/20 0.39
BRD4 O60885 1/20 0.39
TRPV1 Q8NER1 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
STAT3 P40763 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
SCHEMBL1100072 0.93 DGAT1 (0.46) KCNQ3KCNQ2MAPTKDM4EDGAT1
SCHEMBL1100847 0.92 MAPT (0.45) KCNQ3KCNQ2MAPTKDM4EPPARG
SCHEMBL1099124 0.91 TRPV1 (0.48) MAPTKDM4EPPARGDGAT1BRD4
SCHEMBL1100997 0.91 MAPT (0.50) KCNQ3KCNQ2MAPTKDM4EPPARG
Trifluoroacetic Acid SCHEMBL1100840 0.91 DGAT1 (0.45) KCNQ3KCNQ2MAPTKDM4EDGAT1
SCHEMBL1100445 0.90 KCNQ3 (0.44) KCNQ3KCNQ2MAPTKDM4EPPARG
SCHEMBL1100854 0.90 KDM4E (0.45) KCNQ3KCNQ2MAPTKDM4EDGAT1
SCHEMBL1099866 0.89 PPARG (0.43) KCNQ3KCNQ2MAPTKDM4EPPARG
SCHEMBL1101125 0.89 KDM4E (0.45) MAPTKDM4EPPARGDGAT1SMN1; SMN2
SCHEMBL1101594 0.88 KCNQ3 (0.42) KCNQ3KCNQ2MAPTKDM4EDGAT1

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 976/4885MAPT 4029/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KCNQ3 929/4885KCNQ2 976/4885MAPT 4029/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KCNQ3 929/4885KCNQ2 976/4885MAPT 4029/4885

“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.