SCHEMBL1100992

SCHEMBL1100992

COc1ccc(Cn2c(C(=O)Nc3ccc(N4CC(O)C4)nc3)cc3cc(C(F)(F)F)cnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.43
TRPV1 Q8NER1 3/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 4/20 0.40
AKR1C3 P42330 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FASN P49327 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ABL1 P00519 2/20 0.39
AKR1C2 P52895 1/20 0.38
DGAT1 O75907 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
SCHEMBL1099925 0.92 KDM4E (0.46) TRPV1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL1101148 0.92 MAPT (0.46) NR3C1TRPV1KDM4ESMN1; SMN2MAPT
SCHEMBL1101169 0.91 TRPV1 (0.43) NR3C1TRPV1KDM4ESMN1; SMN2MAPT
SCHEMBL1100885 0.91 KDM4E (0.46) NR3C1TRPV1KDM4ESMN1; SMN2LMNA
SCHEMBL1101081 0.90 CNR2 (0.44) NR3C1TRPV1KDM4ESMN1; SMN2LMNA
Trifluoroacetic Acid SCHEMBL1100565 0.89 CNR1 (0.41) NR3C1TRPV1KDM4ESMN1; SMN2LMNA
Trifluoroacetic Acid SCHEMBL1100255 0.88 KDM4E (0.43) NR3C1TRPV1KDM4ESMN1; SMN2LMNA
SCHEMBL1100968 0.88 TRPV1 (0.41) NR3C1TRPV1KDM4ESMN1; SMN2LMNA
SCHEMBL1099513 0.87 MAPT (0.44) TRPV1KDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL1100063 0.86 TRPV1 (0.49) TRPV1KDM4ESMN1; SMN2MAPTALDH1A1

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 NR3C1 2971/4885TRPV1 2255/4885KDM4E 804/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 NR3C1 2971/4885TRPV1 2255/4885KDM4E 804/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 NR3C1 2971/4885TRPV1 2255/4885KDM4E 804/4885

“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.