Thioguanine

Thioguanine

SCHEMBL168164

Nc1nc2nc[nH]c2c(=S)[nH]1.S=c1nc[nH]c2nc[nH]c12

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

IMPDH1IMPDH2

The experimentally established mechanism targets of Thioguanine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
HPGD P15428 4/20 0.59
HBB P68871 3/20 0.59
TP53 P04637 2/20 0.59
PTGS1 P23219 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
KDM4E B2RXH2 2/20 0.59
USP2 O75604 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
MAPK3 P27361 1/20 0.58
XDH P47989 1/20 0.58
PAX8 Q06710 1/20 0.58
PNP P00491 1/20 0.50
PDPK1 O15530 1/20 0.39
GDA Q9Y2T3 1/20 0.39
CDK2 P24941 4/20 0.37
DPP4 P27487 1/20 0.37
MAP3K5 Q99683 1/20 0.35
PRNP P04156 1/20 0.35

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
Thioguanine SCHEMBL1829348 0.91 ALDH1A1 (0.49) ALDH1A1HPGDHBBTP53PTGS1
Thioguanine SCHEMBL1176577 0.87 PNP (0.62) ALDH1A1HPGDHBBTP53PTGS1
Thioguanine SCHEMBL3701 0.87 PNP (0.62) ALDH1A1HPGDHBBTP53PTGS1
Thioguanine SCHEMBL27871419 0.86 PNP (0.61) ALDH1A1HPGDHBBTP53PTGS1
Thioguanine SCHEMBL28189108 0.86 PNP (0.61) ALDH1A1HPGDHBBTP53PTGS1
Thioguanine SCHEMBL27833745 0.86 PNP (0.61) ALDH1A1HPGDHBBTP53PTGS1
Thioguanine SCHEMBL28385604 0.86 PNP (0.61) ALDH1A1HPGDHBBTP53PTGS1
Thioguanine SCHEMBL11551819 0.84 PNP (0.45) ALDH1A1HPGDHBBTP53PTGS1
Thioguanine SCHEMBL28849539 0.83 PNP (0.57) ALDH1A1HPGDHBBTP53PTGS1
Thioguanine SCHEMBL27820845 0.81 ALDH1A1 (0.87) ALDH1A1HPGDHBBTP53PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2918589-B1 ADENINE DERIVATIVE AS PI3K INHIBITOR INTELLIKINE LLC (US) 2016-11-02 EP claimed
EP-2918589-A1 ADENINE DERIVATIVE AS PI3K INHIBITOR Intellikine, LLC (US) 2015-09-16 EP claimed
EP-2456444-B1 ADENINE DERIVATIVE AS PI3K INHIBITOR INTELLIKINE LLC (US) 2015-03-18 EP claimed
EP-0105404-A1 Derivatives of steroid compounds linked to cyotoxic agents and process for their preparation MERCK & CO. INC. (US) 1984-04-18 EP claimed
US-20240141030-A1 VEGF-BINDING MOLECULES BOEHRINGER INGELHEIM INT (DE) 2024-05-02 US disclosed
US-20240124581-A1 ANTIBODY MOLECULES FOR CANCER TREATMENT BOEHRINGER INGELHEIM INT (DE) 2024-04-18 US disclosed
CN-112584824-B Nanoparticles 新泰福托特股份有限公司 2024-03-29 CN disclosed
US-11795219-B2 Antibody molecules for cancer treatment BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-24 US disclosed
WO-2023146866-A2 METHODS FOR TREATING CALCITONIN GENE-RELATED PEPTIDE (CGRP) - EXPRESSING CANCERS THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2023-08-03 WO disclosed
US-20230203146-A1 ANG2-BINDING MOLECULES BOEHRINGER INGELHEIM INT (DE) 2023-06-29 US disclosed
CN-116209439-A Substituted N- (2, 6-dioxopiperidin-3-yl) -1, 3-dioxoisoindolin-5-yl) arylsulfonamide analogs as cereblon modulators 圣裘德儿童研究医院有限公司 2023-06-02 CN disclosed
US-11312785-B2 Antagonizing CD73 antibody BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-04-26 US disclosed
EP-1255753-A2 PRODIGIOSIN-DERIVATIVES AS NEOPLASTIC AND ANTI-VIRAL AGENTS Gemin X Biotechnologies Inc. (CA) 2002-11-13 EP disclosed
WO-2001055131-A2 PRODIGIOSIN-DERIVATIVES AS NEOPLASTIC AND ANTI-VIRAL AGENTS GEMIN X BIOTECHNOLOGIES INC. (CA) 2001-08-02 WO disclosed
WO-2000066767-A1 ESTROGEN SIGNALLING PATHWAY REGULATORS AND USES THEREOF NORTH SHORE LONG ISLAND JEWISH HEALTH SYSTEM (US) 2000-11-09 WO disclosed
US-6039684-A Non-lethal conditioning methods for the treatment of acquired immunodeficiency syndrome ALLEGHENY UNIVERSITY OF THE HEALTH SCIENCES (US) 2000-03-21 US disclosed
US-5876692-A TO PREVENT HOST REJECTION RESPONSES. THE UNIVERSITY OF PITTSBURGH (US) 1999-03-02 US disclosed
US-5854231-A Pharmaceutical composition for inhibiting the growth of cancers THE PROCTER & GAMBLE COMPANY (US) 1998-12-29 US disclosed
US-5635156-A SUBJECTING RECIPIENT TO TREATMENT WITH NON-LETHAL DOSE OF TOTAL BODY IRRADIATION, ALKYLATING AGENT, ANTIBODY OR ACTIVE FRAGMENT THEREOF, TRANSPLANTING WITH DONOR CELL PREPARATION CONTAINING HEMATOPOIETIC STEM CELLS UNIVERSITY OF PITTSBURGH (US) 1997-06-03 US disclosed
US-5514364-A Non-lethal methods for conditioning a recipient for bone marrow transplantation UNIVERSITY OF PITTSBURGH (US) 1996-05-07 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 (1 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-20240141030-A1 VEGF-BINDING MOLECULES VEGFA, KDR, FLT1 ALDH1A1 3195/4885HPGD 3272/4885HBB 95/4885

“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.