SCHEMBL1100997

SCHEMBL1100997

Cc1cccc(Cn2c(C(=O)Nc3ccc(N4CCC4)nc3)cc3nc(C(F)(F)F)ccc32)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ECE1 P42892 1/20 0.45
MAPK1 P28482 1/20 0.42
HTR1E P28566 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
S1PR3 Q99500 1/20 0.42
DGAT1 O75907 9/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
STAT3 P40763 1/20 0.39
PPARG P37231 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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 SCHEMBL1100906 0.97 KDM4E (0.47) MAPTKDM4EECE1MAPK1HTR1E
SCHEMBL1100847 0.92 MAPT (0.45) MAPTKDM4EDGAT1SMN1; SMN2KCNQ3
SCHEMBL1099630 0.91 MAPT (0.44) MAPTKDM4EDGAT1SMN1; SMN2KCNQ3
SCHEMBL1100072 0.91 DGAT1 (0.46) MAPTKDM4EDGAT1SMN1; SMN2KCNQ3
SCHEMBL1100801 0.91 KDM4E (0.45) MAPTKDM4EECE1MAPK1HTR1E
SCHEMBL1100458 0.91 KCNQ3 (0.41) MAPTKDM4EDGAT1SMN1; SMN2KCNQ3
SCHEMBL1101125 0.90 KDM4E (0.45) MAPTKDM4EMAPK1DGAT1SMN1; SMN2
SCHEMBL1100445 0.90 KCNQ3 (0.44) MAPTKDM4EDGAT1SMN1; SMN2KCNQ3
Trifluoroacetic Acid SCHEMBL1100840 0.89 DGAT1 (0.45) MAPTKDM4EDGAT1SMN1; SMN2KCNQ3
SCHEMBL1099866 0.89 PPARG (0.43) MAPTKDM4EDGAT1KCNQ3KCNQ2

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

“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.