SCHEMBL840080

SCHEMBL840080

c1ccc2c(c1)nc1n2CCCN1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.63
ALDH1A1 P00352 3/20 0.63
POLB P06746 2/20 0.63
HSD17B10 Q99714 3/20 0.57
HPGD P15428 2/20 0.57
MAPK10 P53779 1/20 0.57
GFER P55789 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.40
EGFR P00533 1/20 0.40
TGFBR1 P36897 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RPS6KA3 P51812 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
SCHEMBL32688151 1.00 KDM4E (0.63) KDM4EALDH1A1POLBHSD17B10HPGD
Hydrochloric Acid SCHEMBL3851196 0.98 KDM4E (0.61) KDM4EALDH1A1POLBHSD17B10HPGD
SCHEMBL840079 0.95 KDM4E (0.64) KDM4EALDH1A1POLBHSD17B10HPGD
SCHEMBL13057973 0.93 KDM4E (0.62) KDM4EALDH1A1POLBHSD17B10HPGD
SCHEMBL31249024 0.89 KDM4E (0.61) KDM4EALDH1A1POLBHSD17B10HPGD
SCHEMBL839645 0.89 KDM4E (0.61) KDM4EALDH1A1POLBHSD17B10HPGD
SCHEMBL32688153 0.87 KDM4E (0.54) KDM4EALDH1A1POLBHSD17B10HPGD
SCHEMBL10372730 0.83 KDM4E (0.51) KDM4EALDH1A1POLBHSD17B10HPGD
SCHEMBL13057966 0.80 KDM4E (0.49) KDM4EALDH1A1POLBHSD17B10HPGD
SCHEMBL10373208 0.79 KDM4E (0.50) KDM4EALDH1A1POLBHSD17B10HPGD

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US disclosed
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed
US-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-8258501-B2 Use of a metal complex as an n-Dopant for an organic semiconducting matrix material, organic of semiconducting material and electronic component, and also a dopant and ligand and process for producing same NOVALED AG (DE) 2012-09-04 US disclosed
US-8143248-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
EP-1721347-B1 USE OF A METAL COMPLEX AS N-DOPANT FOR AN ORGANIC SEMICONDUCTING MATRIX MATERIAL NOVALED AG (DE) 2010-12-15 EP disclosed
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-25 US disclosed
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-25 US 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-1768200-B1 Dopant and its production method NOVALED AG (DE) 2008-05-07 EP disclosed
EP-1768200-A1 Dopant and its production method Novaled AG (DE) 2007-03-28 EP disclosed
EP-1721347-A2 USE OF A METAL COMPLEX AS N-DOPANT FOR AN ORGANIC SEMICONDUCTING MATRIX MATERIAL, ORGANIC SEMICONDUCTOR MATERIAL AND ELECTRONIC COMPONENT, AS WELL AS DOPANT AND LIGAND AND METHOD FOR PRODUCING THE SAME Novaled AG (DE) 2006-11-15 EP disclosed
EP-1672714-A2 Dopant and its production method Novaled GmbH (DE) 2006-06-21 EP disclosed
WO-2005086251-A2 USE OF METAL COMPLEXES AS N-DOPANTS FOR ORGANIC SEMICONDUCTORS AND PRODUCTION THEREOF INCLUDING THEIR LIGANDS NOVALED GMBH (DE) 2005-09-15 WO disclosed
EP-0571253-B1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR (FR) 1998-11-04 EP disclosed
US-5639756-A ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 1997-06-17 US disclosed
US-5623073-A ANTIDIABETIC AGENT ADIR ET COMPAGNIE (FR) 1997-04-22 US disclosed
EP-0571253-A1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR ET COMPAGNIE (FR) 1993-11-24 EP 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 (2 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-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 484/4885POLB 1170/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 KDM4E 3544/4885ALDH1A1 4352/4885POLB 4699/4885

“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.