SCHEMBL3857170

SCHEMBL3857170

Cc1nc(S)c2[nH]cnc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.41
▸ GDA Q9Y2T3 1/20 0.41
▸ ADORA3 P0DMS8 3/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ XDH P47989 2/20 0.40
▸ MAP3K5 Q99683 1/20 0.40
▸ CDK2 P24941 4/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PNP P00491 1/20 0.38
▸ ADORA2A P29274 2/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ CCNB1 P14635 2/20 0.37
▸ CCNA2 P20248 2/20 0.37
▸ CCNA1 P78396 2/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL30834852 0.98 PDPK1 (0.40) PDPK1GDAADORA3ADORA1XDH
Thioguanine SCHEMBL9153902 0.82 PDPK1 (0.63) PDPK1GDAADORA1XDHMAP3K5
SCHEMBL5403767 0.79 CDK2 (0.41) PDPK1GDAADORA3ADORA1XDH
SCHEMBL29366073 0.79 PDPK1 (0.44) PDPK1GDAADORA3ADORA1XDH
SCHEMBL1275417 0.79 PDPK1 (0.44) PDPK1GDAADORA3ADORA1XDH
SCHEMBL833645 0.76 GDA (0.41) PDPK1GDAADORA3ADORA1XDH
SCHEMBL16146695 0.76 PDPK1 (0.41) PDPK1GDAADORA3ADORA1XDH
SCHEMBL19780 0.76 PDPK1 (0.66) PDPK1GDAXDHMAP3K5CDK2
SCHEMBL16147074 0.76 CDK2 (0.47) PDPK1GDAADORA3ADORA1XDH
SCHEMBL16146853 0.76 PDPK1 (0.41) PDPK1GDAADORA3ADORA1XDH

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 — — CN claimed
US-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2014-10-09 — — US claimed
CN-119968127-A Animal food compositions with improved palatability and customizable properties and methods of making the same 玛氏公司 2025-05-09 — — CN disclosed
CN-116492347-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2023-07-28 — — CN disclosed
US-9938279-B2 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2018-04-10 — — US disclosed
WO-2016027106-A1 CELL ASSAY UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2016-02-25 — — WO disclosed
CN-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 — — CN disclosed
US-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2014-10-09 — — US disclosed
US-20130005749-A1 NOVEL FORMULATION AND TREATMENT METHODS THE UNIVERSITY OF QUEENSLAND (AU) 2013-01-03 — — US disclosed
EP-1825254-A4 METHOD FOR OPTIMIZING THIOPURINE EFFICACY AND TOXICITY USING MASS SPECTROMETRY PROMETHEUS LAB INC (US) 2009-01-14 — — EP disclosed
EP-1825254-A2 METHOD FOR OPTIMIZING THIOPURINE EFFICACY AND TOXICITY USING MASS SPECTROMETRY Prometheus Laboratories, Inc. (US) 2007-08-29 — — EP disclosed
US-20060216726-A1 Method for optimizing thiopurine efficacy and toxicity using mass spectrometry PROMETHEUS LABORATORIES INC. (US) 2006-09-28 — — US disclosed
WO-2006055527-A2 METHOD FOR OPTIMIZING THIOPURINE EFFICACY AND TOXICITY USING MASS SPECTROMETRY PROMETHEUS LABORATORIES INC. (US) 2006-05-26 — — WO disclosed
US-5164390-A Cardiac disorders ORTHO PHARMACEUTICAL CORPORATION (US) 1992-11-17 — — US disclosed
US-5021574-A Cardiotonic agents, antiarrhythmia agents ORTHO PHARMACEUTICAL CORPORATION (US) 1991-06-04 — — US disclosed
US-4603219-A 1,3-dibenzyloxy-2-acetoxymethoxypropane, intermediate for 9-(1,3-dihydroxy-2-propoxymethyl)guanine SYNTEX (U.S.A.) INC. (US) 1986-07-29 — — US disclosed
US-4507305-A 9-(1,3-Dihydroxy-2-propoxymethyl)guanine as antiviral agent SYNTEX (U.S.A.) INC. (US) 1985-03-26 — — US disclosed
US-4423050-A 9-(1,3-Dihydroxy-2-propoxymethyl)guanine as antiviral agent SYNTEX (U.S.A.) INC. (US) 1983-12-27 — — US disclosed
US-4371613-A TRANSARABINOSYLATION USING AN ENZYME FROM BACTERIA, AN ARABINOSE DONOR AND A PURINE SOURCE AJINOMOTO COMPANY INCORPORATED (JP) 1983-02-01 — — US disclosed
US-4355032-A 9-(1,3-Dihydroxy-2-propoxymethyl)guanine as antiviral agent SYNTEX (U.S.A.) INC. (US) 1982-10-19 — — 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-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) PRKAG2, PRKAB2, PRKAG1 PDPK1 281/4885GDA 1170/4885ADORA3 1280/4885

“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.

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