SCHEMBL1100514

SCHEMBL1100514

Cc1cccc(Cn2c(C(=O)Nc3ccc(N4CCC4)nc3)cc3cc(F)cnc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.45
HTR1E P28566 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
S1PR3 Q99500 1/20 0.45
KCNQ3 O43525 2/20 0.44
KCNQ2 O43526 2/20 0.44
DGAT1 O75907 7/20 0.43
ECE1 P42892 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.40
HSP90AA1 P07900 1/20 0.39
PAX8 Q06710 1/20 0.39
TLR9 Q9NR96 1/20 0.39
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 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
SCHEMBL1100964 0.91 RAB9A (0.46) MAPTKDM4EKCNQ3KCNQ2DGAT1
SCHEMBL1100040 0.91 KCNQ2 (0.48) MAPTKDM4EKCNQ3KCNQ2DGAT1
SCHEMBL1100478 0.91 KCNQ3 (0.47) KCNQ3KCNQ2DGAT1RAB9ANPC1
SCHEMBL1100406 0.90 MAPK1 (0.44) MAPTKDM4EMAPK1HTR1ENPSR1
SCHEMBL1100876 0.90 KCNQ2 (0.46) MAPTKDM4EMAPK1KCNQ3KCNQ2
Hydrochloric Acid SCHEMBL1099687 0.90 KCNQ2 (0.47) MAPTKDM4EKCNQ3KCNQ2DGAT1
SCHEMBL1099684 0.90 MAPT (0.57) MAPTKDM4EMAPK1HTR1ENPSR1
SCHEMBL1100645 0.90 DGAT1 (0.46) MAPTKDM4EMAPK1KCNQ3KCNQ2
SCHEMBL1099937 0.89 KCNQ3 (0.48) MAPTKDM4EMAPK1NPSR1KCNQ3
SCHEMBL1100617 0.89 KDM4E (0.46) MAPTKDM4EKCNQ3KCNQ2DGAT1

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 MAPT 4029/4885KDM4E 804/4885MAPK1 4409/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 MAPT 4029/4885KDM4E 804/4885MAPK1 4409/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 MAPT 4029/4885KDM4E 804/4885MAPK1 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.