SCHEMBL1629910

SCHEMBL1629910

Nc1nc2c(ncn2Cc2ccsc2)c(=O)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNP P00491 13/20 0.70
TK1 P04183 2/20 0.53
HPRT1 P00492 4/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
EDNRA P25101 1/20 0.52
HTR2A P28223 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
HBB P68871 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51

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
SCHEMBL6811658 0.89 PNP (0.58) PNPTK1HPRT1USP2TSHR
SCHEMBL18249 0.82 PNP (1.00) PNPTK1
SCHEMBL9226982 0.81 PNP (0.79) PNPTK1USP2TSHREDNRA
SCHEMBL3308559 0.81 PNP (0.79) PNPTK1USP2TSHREDNRA
SCHEMBL1262622 0.81 PNP (0.79) PNPTK1USP2TSHREDNRA
SCHEMBL1980959 0.81 PNP (0.97) PNPTK1
SCHEMBL3310273 0.80 PNP (0.77) PNPTK1USP2TSHREDNRA
SCHEMBL1533549 0.80 PNP (0.77) PNPTK1USP2TSHREDNRA
SCHEMBL3021041 0.80 PNP (0.77) PNPTK1HPRT1USP2TSHR
SCHEMBL3303813 0.80 PNP (0.77) PNPTK1USP2TSHREDNRA

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
JP-4054057-B2 2008-02-27 JP claimed
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 claimed
CN-1048493-C 06-substituted guanine derivatives, a process for their prepn. and their use CANCER RES CAMPAIGN TECH (GB) 2000-01-19 CN claimed
CN-1145622-A O 6Substituted guanine derivatives, process for their preparation and their use CANCER RES CAMPAIGN TECH (GB) 1997-03-19 CN claimed
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 claimed
EP-0374096-A1 Combination therapy involving 2',3'-dideoxypurine nucleoside and an inhibitor of purine nucleoside phosphorylase, and its compositions CIBA-GEIGY AG (CH) 1990-06-20 EP claimed
US-4772606-A AUTOIMMUNE DISEASES, ORGAN TRANSPLANTS WARNER-LAMBERT COMPANY (US) 1988-09-20 US claimed
EP-0178178-A2 Purine derivatives WARNER-LAMBERT COMPANY (US) 1986-04-16 EP claimed
US-20220074941-A1 HSP90 COMBINATION THERAPY SLOAN KETTERING INST CANCER RES (US) 2022-03-10 US disclosed
EP-2977468-B1 METHODS OF NOVEL THERAPEUTIC CANDIDATE IDENTIFICATION THROUGH GENE EXPRESSION ANALYSIS IN PULMONARY ARTERIAL HYPERTENSION VASCULAR BIOSCIENCES INC (US) 2019-06-19 EP disclosed
EP-2977468-A2 METHODS OF NOVEL THERAPEUTIC CANDIDATE IDENTIFICATION THROUGH GENE EXPRESSION ANALYSIS IN PULMONARY ARTERIAL HYPERTENSION Vascular Biosciences, Inc. (US) 2016-01-27 EP disclosed
US-20140315929-A1 HSP90 COMBINATION THERAPY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-10-23 US disclosed
US-20110091421-A1 Methods of Novel Therapeutic Candidate Identification Through Gene Expression Analysis in Vascular-Related Diseases VASCULAR BIOSCIENCES, INC. 2011-04-21 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
CN-1145622-A O 6Substituted guanine derivatives, process for their preparation and their use CANCER RES CAMPAIGN TECH (GB) 1997-03-19 CN 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
US-5051429-A For treatment of autoimmune diseases such as arthritis, lupus, antiinflammatory agents, multiple sclerosis, diabetes and viral diseases WARNER-LAMBERT CO. (US) 1991-09-24 US disclosed
US-4952693-A TREATING AUTOIMMUNE DISEASES WARNER-LAMBERT COMPANY (US) 1990-08-28 US disclosed
US-4772606-A AUTOIMMUNE DISEASES, ORGAN TRANSPLANTS WARNER-LAMBERT COMPANY (US) 1988-09-20 US disclosed
EP-0178178-A2 Purine derivatives WARNER-LAMBERT COMPANY (US) 1986-04-16 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-20220074941-A1 HSP90 COMBINATION THERAPY HSP90AB1, HSP90AB2P, HSP90B1 PNP 4032/4885TK1 1305/4885HPRT1 2313/4885
US-20140315929-A1 HSP90 COMBINATION THERAPY HSP90AB1, HSP90AB2P, HSP90B1 PNP 4048/4885TK1 1365/4885HPRT1 2324/4885

“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.