SCHEMBL1099159

SCHEMBL1099159

COc1cccc(Cn2c(C(=O)Nc3ccc(N4CCC4)nc3)cc3cccnc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.47
ROCK2 O75116 1/20 0.45
F10 P00742 1/20 0.42
LMNA P02545 3/20 0.42
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
FASN P49327 1/20 0.41
THRB P10828 2/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
CASP1 P29466 2/20 0.41
CASP4 P49662 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL1100995 0.95 DGAT1 (0.44) DGAT1ROCK2LMNAHSD17B10MAPK1
SCHEMBL1100061 0.92 FASN (0.45) DGAT1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL1099248 0.91 ROCK2 (0.43) DGAT1ROCK2F10LMNAHSD17B10
SCHEMBL1100754 0.90 PPARG (0.41) DGAT1MAPK1KDM4EALDH1A1MAPT
SCHEMBL1100196 0.89 GAA (0.46) DGAT1MAPK1KDM4EALDH1A1MAPT
SCHEMBL1100645 0.89 DGAT1 (0.46) DGAT1ROCK2LMNAHSD17B10MAPK1
SCHEMBL1100786 0.88 CNR1 (0.47) DGAT1KDM4EMEN1KMT2ACYP1A2
SCHEMBL1100988 0.88 HTT (0.46) DGAT1F10LMNAKDM4EHTT
SCHEMBL1101063 0.87 ROCK2 (0.47) DGAT1ROCK2LMNAHSD17B10MAPK1
SCHEMBL1100170 0.87 KDM4E (0.51) DGAT1ROCK2LMNAHSD17B10MAPK1

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 424/4885F10 2817/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 DGAT1 3777/4885ROCK2 424/4885F10 2817/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 DGAT1 3777/4885ROCK2 424/4885F10 2817/4885

“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.