SCHEMBL1100804

SCHEMBL1100804

O=C(Nc1ccc(N2CC(O)C2)nc1)c1cc2ccc(C(F)(F)F)nc2n1Cc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.49
SMO Q99835 1/20 0.38
DGAT1 O75907 4/20 0.38
CRACR2A Q9BSW2 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
PPARG P37231 2/20 0.37
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
CNR2 P34972 2/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
ACKR3 P25106 1/20 0.36
CLK2 P49760 1/20 0.36
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL1100477 0.93 TRPV1 (0.43) TRPV1DGAT1CRACR2A
SCHEMBL1100950 0.92 RAF1 (0.43) TRPV1KDM4EMAPTPPARGRAF1
SCHEMBL1100903 0.91 KDM4E (0.46) TRPV1SMODGAT1CRACR2AKDM4E
SCHEMBL1101594 0.91 KCNQ3 (0.42) TRPV1DGAT1KDM4EMAPT
SCHEMBL1100054 0.90 TRPV1 (0.43) TRPV1DGAT1CRACR2AMAPTRAF1
SCHEMBL1100694 0.89 ABL1 (0.43) TRPV1SMODGAT1PPARG
SCHEMBL1099851 0.89 ROCK2 (0.46) TRPV1SMODGAT1KDM4EMAPT
SCHEMBL1099124 0.89 TRPV1 (0.48) TRPV1SMODGAT1CRACR2AKDM4E
SCHEMBL1099713 0.88 TRPV1 (0.41) TRPV1DGAT1CRACR2AKDM4EMAPT
Trifluoroacetic Acid SCHEMBL1099740 0.88 SLC2A1 (0.42) DGAT1KDM4EMAPT

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 TRPV1 2255/4885SMO 4344/4885DGAT1 3777/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 TRPV1 2255/4885SMO 4344/4885DGAT1 3777/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 TRPV1 2255/4885SMO 4344/4885DGAT1 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.