SCHEMBL832677

SCHEMBL832677

[c]1cccc2c1nc1ncccn12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 6/20 0.39
GAA P10253 5/20 0.39
RAB9A P51151 3/20 0.39
GLA P06280 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BACE1 P56817 2/20 0.36
PARP1 P09874 1/20 0.35
KLK7 P49862 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 4/20 0.33
HSD17B10 Q99714 2/20 0.33
DYRK1A Q13627 1/20 0.33
PKM P14618 1/20 0.31
NTRK1 P04629 1/20 0.31

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
SCHEMBL832455 0.72 KDM4E (0.47) KDM4EALDH1A1GAARAB9AGLA
SCHEMBL839531 0.72 PTPN1 (0.50) KDM4EALDH1A1GAARAB9AGLA
SCHEMBL29449203 0.72 PTPN1 (0.50) KDM4EALDH1A1GAARAB9AGLA
SCHEMBL832822 0.69 PARP1 (0.37) KDM4EALDH1A1GAAPARP1HPGD
SCHEMBL12883857 0.67 PARP1 (0.51) KDM4EALDH1A1GAARAB9AGLA
SCHEMBL19695 0.64 TSHR (0.42) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL24329860 0.62 NPM1 (0.43) KDM4EALDH1A1GAARAB9AGLA
SCHEMBL831947 0.62 ALDH1A1 (0.46) KDM4EALDH1A1GAARAB9AGLA
SCHEMBL830523 0.62 KLK7 (0.43) KDM4EALDH1A1GAARAB9AGLA
SCHEMBL21831938 0.62 TSHR (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1

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 21 patents — showing the first 20. 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-8399491-B2 Derivatives of indole-2-carboxamides and of azaindole-2-carboxamides substituted with a silanyl group, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-19 US disclosed
EP-2235003-B1 DERIVATIVES OF INDOLE 2-CARBOXAMIDES AND AZAINDOLE 2-CARBOXAMIDES SUBSTITUTED BY A SILANYLE GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-12-19 EP disclosed
US-8288376-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI (FR) 2012-10-16 US 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-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2012-05-17 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-20110009365-A1 DERIVATIVES OF INDOLE-2-CARBOXAMIDES AND OF AZAINDOLE-2-CARBOXAMIDES SUBSTITUTED WITH A SILANYL GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
EP-2235003-A1 DERIVATIVES OF INDOLE 2-CARBOXAMIDES AND AZAINDOLE 2-CARBOXAMIDES SUBSTITUTED BY A SILANYLE GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-10-06 EP disclosed
EP-1987010-B1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2010-04-07 EP 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
EP-2125811-A2 N-(AMINO-HETEROARYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDES DERIVATIVES, PREPARATION THEREOF AND THEIR USE IN THERAPY Sanofi-Aventis (FR) 2009-12-02 EP disclosed
WO-2009109710-A1 DERIVATIVES OF INDOLE 2-CARBOXAMIDES AND AZAINDOLE 2-CARBOXAMIDES SUBSTITUTED BY A SILANYLE GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-09-11 WO disclosed
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-12 US disclosed
EP-1987010-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2008093024-A2 N-(AMINO-HETEROARYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDES DERIVATIVES, PREPARATION THEREOF AND THEIR USE IN THERAPY SANOFI-AVENTIS (FR) 2008-08-07 WO disclosed
WO-2007088277-A1 TRICYCLIC Ν-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-09 WO 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 (6 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-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, CYP3A43 KDM4E 1876/4885ALDH1A1 453/4885GAA 440/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS KDM4E 1797/4885ALDH1A1 484/4885GAA 522/4885
US-20120142670-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KDM4E 804/4885ALDH1A1 780/4885GAA 927/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KDM4E 804/4885ALDH1A1 780/4885GAA 927/4885
US-20110009365-A1 DERIVATIVES OF INDOLE-2-CARBOXAMIDES AND OF AZAINDOLE-2-CARBOXAMIDES SUBSTITUTED WITH A SILANYL GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO2, INMT, IDO1 KDM4E 618/4885ALDH1A1 1127/4885GAA 3526/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KDM4E 804/4885ALDH1A1 780/4885GAA 927/4885

“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.