SCHEMBL441795

SCHEMBL441795

CC(Cl)n1c(N)nc2[nH]cnc2c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.35
ADORA2A P29274 1/20 0.32
CFTR P13569 2/20 0.31
CYP1A2 P05177 2/20 0.31
PDE2A O00408 1/20 0.31
PDE5A O76074 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
PDE4A P27815 1/20 0.31
MAPK1 P28482 1/20 0.31
ADORA1 P30542 1/20 0.31
SCN1A P35498 1/20 0.31
PDE6C P51160 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE7A Q13946 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
SCHEMBL5021599 0.88 ADORA2B (0.43) ADORA2BADORA2ACFTRCYP1A2PDE2A
SCHEMBL9806961 0.87 ADORA2B (0.36) ADORA2BADORA2ACFTRCYP1A2PDE2A
SCHEMBL6751928 0.85 ADORA2B (0.35) ADORA2BADORA2ACFTRCYP1A2PDE2A
SCHEMBL15743132 0.80 ADORA2A (0.33) ADORA2BADORA2ACYP1A2PDE4APDE4B
SCHEMBL17186266 0.77 PNP (0.42) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL17186305 0.77 PNP (0.39) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL441798 0.77 DPP4 (0.44) ADORA2BADORA2ACYP1A2PNPATAD2
SCHEMBL20576 0.76 PNP (0.34) ADORA2BADORA2ACYP1A2PDE4AADORA1
SCHEMBL20866 0.76 ATAD2 (0.41) ADORA2BADORA2ACYP1A2PDE4AADORA1
SCHEMBL473734 0.76 ADORA2A (0.32) ADORA2BADORA2ACYP1A2PDE4APDE4B

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-20230045112-A1 DISULFIRAM AND OTHER REDOX-RELATED COMPOSITIONS FOR BRAIN TUMORS TEXAS TECH UNIVERSITY SYSTEM 2023-02-09 US disclosed
US-20200109362-A1 METHODS FOR CELL PROLIFERATION AND TOXICITY TESTING MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-04-09 US disclosed
US-20180147178-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL AND DIACETYLDIANHYDROGALACTITOL DELMAR PHARMACEUTICALS INC (CA) 2018-05-31 US disclosed
US-9901563-B2 Compositions to improve the therapeutic benefit of suboptimally administered chemical compounds including substituted hexitols such as dianhydrogalactitol and diacetyldianhydrogalactitol DELMAR PHARMACEUTICALS, INC. (CA) 2018-02-27 US disclosed
WO-2017223254-A1 METHODS FOR CELL PROLIFERATION AND TOXICITY TESTING MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-12-28 WO disclosed
US-20160346231-A1 Disulfiram Compositions and Treatments for Brain Tumors TEXAS TECH UNIVERSITY SYSTEM 2016-12-01 US disclosed
US-20150297553-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL AND DIACETYLDIANHYDROGALACTITOL DEL MAR PHARMACEUTICALS (CA) 2015-10-22 US disclosed
WO-2015120254-A1 DISULFIRAM COMPOSITIONS AND TREATMENTS FOR BRAIN TUMORS TEXAS TECH UNIVERSITY SYSTEM (US) 2015-08-13 WO disclosed
US-8716346-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-06 US disclosed
US-8324282-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2012-12-04 US disclosed
US-20060241186-A1 Alkylating agent combinations in the treatment of cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-10-26 US disclosed
EP-0702683-B8 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER REC TECH LTD (GB) 2004-09-08 EP disclosed
WO-2003070234-A9 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER UNIV CASE WESTERN RESERVE (US) 2004-02-26 WO disclosed
US-6635677-B2 Potentiating toxicity of 1,3-bis(chloroethyl)2-nitrosourea CASE WESTERN RESERVE UNIVERSITY 2003-10-21 US disclosed
EP-0702683-B1 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER REC TECH LTD (GB) 2003-09-17 EP disclosed
US-20020198264-A1 Methoxyamine combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2002-12-26 US disclosed
US-6465448-B1 TREATING TUMORS RESISTANT TO TEMOZOLOMIDE ALONE CASE WESTERN RESERVE UNIVERSITY 2002-10-15 US disclosed
WO-2001012199-A2 METHOXYAMINE POTENTIATION OF TEMOZOLOMIDE ANTI-CANCER ACTIVITY CASE WESTERN RESERVE UNIVERSITY (US) 2001-02-22 WO disclosed
EP-0702683-A1 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-03-27 EP disclosed
WO-1994029312-A1 O6-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-12-22 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 (5 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-20060241186-A1 Alkylating agent combinations in the treatment of cancer UNG, TOP2A, OGG1 ADORA2B 1682/4885ADORA2A 836/4885CFTR 4382/4885
US-20230045112-A1 DISULFIRAM AND OTHER REDOX-RELATED COMPOSITIONS FOR BRAIN TUMORS MGMT, SHMT2, SHMT1 ADORA2B 2056/4885ADORA2A 792/4885CFTR 3218/4885
US-20160346231-A1 Disulfiram Compositions and Treatments for Brain Tumors MGMT, NNMT, GNMT ADORA2B 1038/4885ADORA2A 477/4885CFTR 1945/4885
US-20180147178-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL AND DIACETYLDIANHYDROGALACTITOL DDOST, DAD1, B3GAT3 ADORA2B 3605/4885ADORA2A 2834/4885CFTR 3422/4885
US-20150297553-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL AND DIACETYLDIANHYDROGALACTITOL DDOST, DAD1, B3GAT3 ADORA2B 3605/4885ADORA2A 2834/4885CFTR 3422/4885

“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.