SCHEMBL1099301

SCHEMBL1099301

Cc1cccc(Cn2c(C(=O)Nc3ccc(N4CCC4)nc3)cc3ccncc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.45
DGAT1 O75907 2/20 0.42
FASN P49327 1/20 0.42
THRB P10828 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR1E P28566 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
S1PR3 Q99500 1/20 0.40
CLK2 P49760 1/20 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
SCHEMBL1100162 0.91 RAB9A (0.47) MAPTKDM4EDGAT1FASNTP53
SCHEMBL1101472 0.91 DGAT1 (0.45) MAPTDGAT1FASNSMN1; SMN2L3MBTL1
SCHEMBL1100073 0.90 ECE1 (0.45) ECE1MAPTKDM4EDGAT1FASN
SCHEMBL1100851 0.90 CCR2 (0.43) MAPTDGAT1FASNTP53SMN1; SMN2
SCHEMBL1100884 0.90 DGAT1 (0.45) MAPTKDM4EDGAT1FASNTP53
SCHEMBL1100186 0.88 PPARG (0.46) MAPTKDM4EDGAT1SMN1; SMN2
SCHEMBL1101489 0.86 KCNQ3 (0.47) MAPTKDM4EDGAT1FASNTP53
SCHEMBL1100642 0.86 PPARG (0.44) MAPTDGAT1KCNQ3KCNQ2
SCHEMBL1100196 0.86 GAA (0.46) ECE1MAPTKDM4EDGAT1FASN
SCHEMBL2898096 0.84 DGAT1 (0.45) ECE1MAPTKDM4EDGAT1TP53

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 ECE1 2037/4885MAPT 4029/4885KDM4E 804/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 ECE1 2037/4885MAPT 4029/4885KDM4E 804/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 ECE1 2037/4885MAPT 4029/4885KDM4E 804/4885

“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.