SCHEMBL1100196

SCHEMBL1100196

Cc1cccc(Cn2c(C(=O)Nc3ccc(N4CCC4)nc3)cc3cccnc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
DGAT1 O75907 4/20 0.44
ECE1 P42892 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 1/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
MAPK1 P28482 1/20 0.40
HTR1E P28566 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
S1PR3 Q99500 1/20 0.40
AVPR1A P37288 1/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 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
SCHEMBL1100783 0.91 L3MBTL1 (0.47) MAPTKDM4EDGAT1L3MBTL1RAB9A
SCHEMBL1100786 0.90 CNR1 (0.47) ATMKDM4EDGAT1L3MBTL1RAB9A
SCHEMBL1099629 0.90 GAA (0.45) GAAATMMAPTKDM4EDGAT1
SCHEMBL1100988 0.90 HTT (0.46) MAPTKDM4EDGAT1RAB9AALDH1A1
SCHEMBL1099159 0.89 DGAT1 (0.47) MAPTKDM4EDGAT1ALDH1A1CYP1A2
SCHEMBL1100514 0.88 MAPT (0.47) MAPTKDM4EDGAT1ECE1L3MBTL1
SCHEMBL1100841 0.88 MAPT (0.46) GAAMAPTKDM4EDGAT1L3MBTL1
SCHEMBL1100494 0.87 CNR1 (0.49) KDM4EDGAT1RAB9AALDH1A1KCNQ3
SCHEMBL1101004 0.86 MAPT (0.51) MAPTKDM4EDGAT1ECE1L3MBTL1
SCHEMBL1099684 0.86 MAPT (0.57) MAPTKDM4EDGAT1ECE1ALDH1A1

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 GAA 927/4885ATM 4393/4885MAPT 4029/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 GAA 927/4885ATM 4393/4885MAPT 4029/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 GAA 927/4885ATM 4393/4885MAPT 4029/4885

“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.