SCHEMBL740931

SCHEMBL740931

O=c1[nH]c(=O)c2[nH]c(S)nc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
ADORA2B P29275 2/20 0.49
GDA Q9Y2T3 3/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
XDH P47989 6/20 0.38
RPS6KA3 P51812 1/20 0.37
BLM P54132 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
ADORA2A P29274 2/20 0.36
PABPC1 P11940 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL10997 0.74 MAPT (0.53) MAPTADORA2BGDAACHEALDH1A1
Uric Acid SCHEMBL28407297 0.74 MAPT (0.53) MAPTADORA2BGDAACHEALDH1A1
SCHEMBL30728071 0.74 MAPT (0.53) MAPTADORA2BGDAACHEALDH1A1
Uric Acid SCHEMBL30269772 0.74 MAPT (0.53) MAPTADORA2BGDAACHEALDH1A1
SCHEMBL30537976 0.74 ALDH1A1 (0.60) MAPTADORA2BGDAACHEALDH1A1
SCHEMBL932609 0.74 MAPT (0.53) MAPTADORA2BGDAACHEALDH1A1
SCHEMBL29737686 0.74 MAPT (0.53) MAPTADORA2BGDAACHEALDH1A1
SCHEMBL932949 0.74 MAPT (0.53) MAPTADORA2BGDAACHEALDH1A1
Uric Acid SCHEMBL2786719 0.74 MAPT (0.53) MAPTADORA2BGDAACHEALDH1A1
SCHEMBL2837685 0.74 MAPT (0.53) MAPTADORA2BGDAACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012178101-A2 COMPOSITIONS AND METHODS TO REMOVE GENETIC MARKERS USING COUNTER-SELECTION JOULE UNLIMITED TECHNOLOGIES, INC. (US) 2012-12-27 WO claimed
JP-2160720-A None JP disclosed
EP-2430036-B1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2014-07-30 EP disclosed
US-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2014-03-06 US disclosed
EP-2173173-B1 SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIV PALACKEHO (CZ) 2013-07-24 EP disclosed
WO-2012178101-A2 COMPOSITIONS AND METHODS TO REMOVE GENETIC MARKERS USING COUNTER-SELECTION JOULE UNLIMITED TECHNOLOGIES, INC. (US) 2012-12-27 WO disclosed
US-8222260-B2 Substituted 6-anilinopurine derivatives as inhibitors of cytokinin oxidase/dehydrogenase and preparations containing these derivatives Univerzita Palackego V Olomouci (CZ) 2012-07-17 US disclosed
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2012-03-22 US disclosed
EP-2430036-A1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2012-03-21 EP disclosed
WO-2010130233-A1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2010-11-18 WO disclosed
EP-0903981-A4 DESIGN OF NOVEL HIGHLY EFFICIENT HIV BASED PACKAGING SYSTEMS FOR GENE THERAPY UNIV CALIFORNIA (US) 2002-07-17 EP disclosed
CN-1343260-A Electropolymerizable film, and method of making and use thereof UNIV NORTH CAROLINA CHAPEL HILL (US) 2002-04-03 CN disclosed
US-20020028823-A1 THERAPEUTIC COMPOUNDS FOR INHIBITING INTERLEUKIN-12 SIGNALING AND METHODS FOR USING SAME CELL THERAPEUTICS, INC. 2002-03-07 US disclosed
EP-1171442-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS CELL THERAPEUTICS, INC. (US) 2002-01-16 EP disclosed
US-6323019-B1 EXPRESSION VECTORS; FOR USE IN THE TREATMENT OF VIRAL DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-11-27 US disclosed
US-6200811-B1 FOR MAKING HUMAN IMMUNODEFICIENCY VIRUS RESISTANT CELLS; GENE THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-03-13 US disclosed
WO-2000061583-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 2000-10-19 WO disclosed
EP-0903981-A1 DESIGN OF NOVEL HIGHLY EFFICIENT HIV BASED PACKAGING SYSTEMS FOR GENE THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-03-31 EP disclosed
WO-1997036481-A1 DESIGN OF NOVEL HIGHLY EFFICIENT HIV BASED PACKAGING SYSTEMS FOR GENE THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-10-09 WO disclosed
JP-H02160720-A PHARMACEUTICAL COMPOSITION BEECHAM WUELFING GMBH & CO KG 1990-06-20 JP 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-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives PNP, NUDT1, TYMP MAPT 4552/4885ADORA2B 294/4885GDA 206/4885
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives CD38, NUDT1, PNP MAPT 4262/4885ADORA2B 161/4885GDA 217/4885
US-20020028823-A1 THERAPEUTIC COMPOUNDS FOR INHIBITING INTERLEUKIN-12 SIGNALING AND METHODS FOR USING SAME CCR10, IL1RN, CCR1 MAPT 2388/4885ADORA2B 1938/4885GDA 2534/4885

“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.