SCHEMBL1100170

SCHEMBL1100170

COc1cccc(Cn2c(C(=O)Nc3ccc(N4CCC4)nc3)cc3cc(C(F)(F)F)cnc32)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 9/20 0.47
DGAT1 O75907 2/20 0.45
PPARG P37231 1/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
ALDH1A1 P00352 1/20 0.42
STAT3 P40763 1/20 0.41
PKM P14618 1/20 0.41
ROCK2 O75116 1/20 0.40
PDGFRB P09619 1/20 0.40

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 SCHEMBL1099225 0.97 KDM4E (0.49) KDM4ESMN1; SMN2MAPK1LMNAHTT
SCHEMBL1100879 0.93 MAPT (0.45) KDM4ESMN1; SMN2MAPK1LMNAHTT
SCHEMBL1100885 0.92 KDM4E (0.46) KDM4ESMN1; SMN2MAPK1LMNAHTT
SCHEMBL1099925 0.91 KDM4E (0.46) KDM4ESMN1; SMN2MAPK1LMNAHTT
SCHEMBL1101024 0.91 MAPT (0.49) KDM4ESMN1; SMN2MAPK1LMNAHTT
SCHEMBL1099684 0.90 MAPT (0.57) KDM4ESMN1; SMN2MAPK1LMNAHTT
SCHEMBL1100645 0.90 DGAT1 (0.46) KDM4ESMN1; SMN2MAPK1LMNAHTT
Trifluoroacetic Acid SCHEMBL1100561 0.90 KDM4E (0.43) KDM4ESMN1; SMN2MAPK1LMNAHTT
SCHEMBL1100431 0.89 MAPT (0.47) KDM4ESMN1; SMN2MAPTDGAT1TDP1
SCHEMBL1099511 0.89 MAPT (0.48) KDM4ESMN1; SMN2LMNAHTTMAPT

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 KDM4E 804/4885SMN1; SMN2 2248/4885MAPK1 4409/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KDM4E 804/4885SMN1; SMN2 2248/4885MAPK1 4409/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KDM4E 804/4885SMN1; SMN2 2248/4885MAPK1 4409/4885

“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.