SCHEMBL2491027

SCHEMBL2491027

CCc1nc2ccccc2nc1CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 2/20 0.47
RAD52 P43351 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DDAH1 O94760 1/20 0.45
NQO2 P16083 2/20 0.44
GAA P10253 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
Ammonia Solution, Strong SCHEMBL28585108 0.97 KDM4E (0.52) KDM4EMAPTALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL28608867 0.95 KDM4E (0.50) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL3735430 0.85 LMNA (0.53) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL12858948 0.85 KDM4E (0.43) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL10175661 0.84 KDM4E (0.46) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL31193100 0.84 KDM4E (0.46) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL11918970 0.84 KDM4E (0.58) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL10009532 0.84 TDP1 (0.58) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL14425574 0.82 NQO2 (0.54) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL18721598 0.80 KDM4E (0.43) KDM4EMAPTALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383762-A1 TETRAHYDROPYRIDYL-ALKYL-HETEROCYCLES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2004-01-28 EP claimed
WO-2002085888-A1 TETRAHYDROPYRIDYL-ALKYL-HETEROCYCLES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-10-31 WO claimed
CN-117945995-A Alkylated nitrogen-containing heterocyclic compound and preparation method and application thereof 中国科学院青海盐湖研究所 2024-04-30 CN disclosed
WO-2018045090-A1 BISPECIFIC ANTIBODIES IMMUNOMAB, INC. (US) 2018-03-08 WO disclosed
US-9841652-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-12-12 US disclosed
US-9785030-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-10-10 US disclosed
US-20160231636-A1 ELECTROCHROMIC COMPOSITION ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-08-11 US disclosed
WO-2014145095-A1 MACROCYCLIC AND BICYCLIC INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-09-18 WO disclosed
WO-2014008285-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-01-09 WO disclosed
US-20130027636-A1 CLASS OF BRIDGED BIPHENYLENE POLYMERS SUMITOMO CHEMICAL CO., LTD. (JP) 2013-01-31 US disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
US-7705014-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2010-04-27 US disclosed
US-7589068-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-09-15 US disclosed
US-20090062327-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090036622-A1 High Bandgap Arylene Polymers SUMATION CO. LIMITED (JP) 2009-02-05 US disclosed
US-20080009507-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-01-10 US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-4303689-A Flavoring with pyrazine derivatives FIRMENICH SA (CH) 1981-12-01 US disclosed
US-4138410-A Flavoring agent FIRMENICH & CIE (CH) 1979-02-06 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-20090062327-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG KDM4E 1661/4885MAPT 4460/4885ALDH1A1 3853/4885
US-20090036622-A1 High Bandgap Arylene Polymers PARG, PCBP1, PARN KDM4E 2715/4885MAPT 679/4885ALDH1A1 1273/4885
US-20080009507-A1 Inhibitors of Akt Activity PIK3CD, PIK3CA, PIK3CG KDM4E 1661/4885MAPT 4460/4885ALDH1A1 3853/4885

“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.