SCHEMBL5604556

SCHEMBL5604556

C=CCc1[c]cccc1N

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IMPDH2 P12268 1/20 0.30

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
SCHEMBL176260 0.78 GABRA1 (0.42) ALDH1A1
SCHEMBL2362110 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7190874 0.76 ALDH1A1 (0.31) CYP3A4ALOX15SMN1; SMN2ALDH1A1TSHR
SCHEMBL1515066 0.76
SCHEMBL366548 0.76 XDH (0.38) CYP3A4ALOX15CASP1ALDH1A1TSHR
SCHEMBL5454290 0.76 ALDH1A1 (0.31) CYP3A4ALOX15SMN1; SMN2ALDH1A1TSHR
SCHEMBL11421318 0.76 CYP3A4 (0.31) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL11195968 0.76 TSHR (0.31) ALDH1A1TSHR
SCHEMBL7395144 0.73 GABRA1 (0.39) ALDH1A1
SCHEMBL6762279 0.72

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
EP-1441724-B1 METHODS OF INCREASING ENDOGENOUS TESTOSTERONE LEVELS APPLIED RESEARCH SYSTEMS (AN) 2007-09-05 EP claimed
US-20050239808-A1 Active substances for the treatment, diagnosis and prophylaxis of diseases in which abnormal protein structures occur TRANSMIT GESELLSCHAFT FUR TECHNOLOGIETRANSFER MBH (DE) 2005-10-27 US claimed
US-10160769-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-12-25 US disclosed
US-20170253611-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE LEUKEMIA & LYMPHOMA SOCIETY, INC. 2017-09-07 US disclosed
US-9505782-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-29 US disclosed
US-9505781-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-29 US disclosed
US-20160137665-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE LEUKEMIA & LYMPHOMA SOCIETY, INC. 2016-05-19 US disclosed
US-20160046647-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE LEUKEMIA & LYMPHOMA SOCIETY, INC. 2016-02-18 US disclosed
US-9216993-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-12-22 US disclosed
US-20140275070-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-18 US disclosed
EP-1610786-A1 4-(4-(HETEROCYCLYLALKOXY PHENYL)-1-(HETEROCYCLYL-CARBONYL)PIPERIDINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H3 ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISEASES SUCH AS ALZHEIMER'S GLAXO GROUP LIMITED (GB) 2006-01-04 EP disclosed
WO-2004089373-A1 4- (4-(HETEROCYCLYLALKOXY}PHENYL)-1-(HETEROCYCLYL-CARBONYL)PIPERIDINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H3 ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISEASES SUCH AS ALZHEIMER’S GLAXO GROUP LIMITED (GB) 2004-10-21 WO disclosed
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
CN-1209744-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-03-03 CN disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 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-10160769-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof MLLT1, MLLT3, BMI1 CYP3A4 2017/4885ALOX15 2708/4885CASP1 2704/4885
US-20140275070-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 CYP3A4 3035/4885ALOX15 3132/4885CASP1 2765/4885
US-20160046647-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 CYP3A4 2994/4885ALOX15 3084/4885CASP1 3157/4885
US-20050239808-A1 Active substances for the treatment, diagnosis and prophylaxis of diseases in which abnormal protein structures occur PRNP, APP, MAPT CYP3A4 2445/4885ALOX15 4708/4885CASP1 1407/4885
US-20170253611-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 CYP3A4 2017/4885ALOX15 2708/4885CASP1 2704/4885
US-20160137665-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 CYP3A4 2131/4885ALOX15 2541/4885CASP1 2835/4885

“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.