SCHEMBL1101562

SCHEMBL1101562

O=C(Nc1ccc(N2CCC2)nc1)c1cc2cc(F)cnc2n1Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
CACNA1H O95180 1/20 0.40
CNR1 P21554 3/20 0.39
DGAT1 O75907 8/20 0.39
PPARG P37231 1/20 0.39
ABL1 P00519 2/20 0.39
CYP3A4 P08684 1/20 0.39
SOAT1 P35610 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KIT P10721 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
SCHEMBL1100879 0.92 MAPT (0.45) KCNQ3KCNQ2CNR1DGAT1PPARG
SCHEMBL1100135 0.91 ABL1 (0.43) CNR1PPARGABL1
SCHEMBL1100645 0.91 DGAT1 (0.46) KCNQ3KCNQ2DGAT1CYP3A4KDM4E
SCHEMBL1100754 0.90 PPARG (0.41) KCNQ3KCNQ2CNR1DGAT1PPARG
Trifluoroacetic Acid SCHEMBL1100561 0.89 KDM4E (0.43) CNR1DGAT1PPARGCYP3A4SOAT1
Trifluoroacetic Acid SCHEMBL1100621 0.89 ABL1 (0.42) CNR1DGAT1PPARGABL1
SCHEMBL1100617 0.88 KDM4E (0.46) KCNQ3KCNQ2DGAT1PPARGKDM4E
SCHEMBL1100622 0.88 SMO (0.40) CNR1DGAT1PPARGABL1
SCHEMBL1100040 0.87 KCNQ2 (0.48) KCNQ3KCNQ2DGAT1KDM4EMAPT
SCHEMBL1100106 0.87 PPARG (0.42) KCNQ3KCNQ2CNR1DGAT1PPARG

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 KCNQ3 929/4885KCNQ2 976/4885CACNA1H 2107/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KCNQ3 929/4885KCNQ2 976/4885CACNA1H 2107/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KCNQ3 929/4885KCNQ2 976/4885CACNA1H 2107/4885

“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.