SCHEMBL1101586

SCHEMBL1101586

COc1cccc(Cn2c(C(=O)Nc3ccc(N4CC(O)C4)nc3)cc3cc(F)cnc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.42
ROCK2 O75116 1/20 0.41
HSD17B10 Q99714 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
MTOR P42345 1/20 0.39
CYP3A4 P08684 7/20 0.39
LMNA P02545 7/20 0.39
CYP1A2 P05177 6/20 0.39
CYP2C9 P11712 6/20 0.39
USP2 O75604 6/20 0.39
CYP2C19 P33261 5/20 0.39
MAPK1 P28482 5/20 0.39
CASP1 P29466 4/20 0.39
CYP2D6 P10635 3/20 0.39
TSHR P16473 2/20 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
SCHEMBL1101081 0.92 CNR2 (0.44) HSD17B10MEN1KMT2AMAPTCYP3A4
SCHEMBL1100135 0.91 ABL1 (0.43) TRPV1
SCHEMBL1100645 0.91 DGAT1 (0.46) DGAT1ROCK2HSD17B10MEN1KMT2A
SCHEMBL1099925 0.90 KDM4E (0.46) DGAT1ROCK2HSD17B10MEN1KMT2A
SCHEMBL1100406 0.90 MAPK1 (0.44) DGAT1MAPTCYP1A2CYP2C19MAPK1
SCHEMBL1099248 0.89 ROCK2 (0.43) DGAT1ROCK2HSD17B10MEN1KMT2A
SCHEMBL1101330 0.89 DGAT1 (0.41) DGAT1HSD17B10MEN1KMT2AMAPT
Trifluoroacetic Acid SCHEMBL1100621 0.89 ABL1 (0.42) DGAT1TRPV1
SCHEMBL1100554 0.88 TRPV1 (0.47) DGAT1MAPTGRIN1GRIN2BUSP2
Trifluoroacetic Acid SCHEMBL1100565 0.87 CNR1 (0.41) DGAT1HSD17B10MEN1KMT2AMAPT

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 DGAT1 3777/4885ROCK2 424/4885HSD17B10 3313/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 DGAT1 3777/4885ROCK2 424/4885HSD17B10 3313/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 DGAT1 3777/4885ROCK2 424/4885HSD17B10 3313/4885

“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.