SCHEMBL1101148

SCHEMBL1101148

Cc1ccc(Cn2c(C(=O)Nc3ccc(N4CC(O)C4)nc3)cc3cc(C(F)(F)F)cnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
KDM4E B2RXH2 3/20 0.46
NR3C1 P04150 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TRPV1 Q8NER1 3/20 0.41
ALDH1A1 P00352 2/20 0.41
STAT3 P40763 1/20 0.40
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAF1 P04049 2/20 0.39
BRAF P15056 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
FASN P49327 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DGAT1 O75907 2/20 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
SCHEMBL1101169 0.94 TRPV1 (0.43) MAPTKDM4ENR3C1SMN1; SMN2TRPV1
SCHEMBL1100992 0.92 NR3C1 (0.43) MAPTKDM4ENR3C1SMN1; SMN2TRPV1
SCHEMBL1100179 0.92 MAPT (0.51) MAPTKDM4ESMN1; SMN2TRPV1ALDH1A1
SCHEMBL1100686 0.90 MAPT (0.51) MAPTKDM4ENR3C1SMN1; SMN2ALDH1A1
SCHEMBL1100911 0.90 CNR2 (0.41) MAPTTRPV1RAB9AL3MBTL1CYP1A2
SCHEMBL1099513 0.89 MAPT (0.44) MAPTKDM4ESMN1; SMN2TRPV1ALDH1A1
SCHEMBL1100063 0.88 TRPV1 (0.49) MAPTKDM4ESMN1; SMN2TRPV1ALDH1A1
Trifluoroacetic Acid SCHEMBL1098452 0.88 MAPT (0.48) MAPTKDM4ENR3C1SMN1; SMN2ALDH1A1
SCHEMBL1099691 0.88 TRPV1 (0.43) MAPTKDM4ESMN1; SMN2TRPV1ALDH1A1
SCHEMBL1099713 0.87 TRPV1 (0.41) MAPTKDM4ESMN1; SMN2TRPV1RAB9A

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 MAPT 4029/4885KDM4E 804/4885NR3C1 2971/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 MAPT 4029/4885KDM4E 804/4885NR3C1 2971/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 MAPT 4029/4885KDM4E 804/4885NR3C1 2971/4885

“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.