SCHEMBL3757593

SCHEMBL3757593

Sc1nc(Cc2ccccc2)nc2nc[nH]c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.64
▸ PDE4B Q07343 1/20 0.64
▸ PDE4C Q08493 1/20 0.64
▸ PDE4D Q08499 1/20 0.64
▸ ADORA3 P0DMS8 3/20 0.46
▸ ADORA2A P29274 3/20 0.46
▸ CDK1 P06493 4/20 0.45
▸ CYP1A2 P05177 3/20 0.45
▸ CYP2D6 P10635 3/20 0.45
▸ CDK2 P24941 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ PIN1 Q13526 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CCNB1 P14635 2/20 0.45
▸ CCNA2 P20248 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CCNA1 P78396 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ MGMT P16455 1/20 0.45

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
SCHEMBL16146158 0.82 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL104931 0.82 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL29557469 0.82 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL16147211 0.81 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL16147214 0.77 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL30751337 0.76 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL30129043 0.76 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL1365498 0.76 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL16147020 0.76 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL16146868 0.76 CDK1 (0.40) PDE4APDE4BPDE4CPDE4DADORA3

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 11 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-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
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-8680270-B2 Metallo-oxidoreductase inhibitors using metal binding moieties in combination with targeting moieties VIAMET PHARMACEUTICALS, INC. (US) 2014-03-25 — — US disclosed
EP-2086546-B1 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES VIAMET PHARMACEUTICALS INC (US) 2013-07-10 — — EP disclosed
US-20100305078-A1 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES VIAMET PHARMACEUTICALS, INC. (US) 2010-12-02 — — US disclosed
EP-2086546-A2 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES Viamet Pharmaceuticals, Inc. (US) 2009-08-12 — — EP disclosed
WO-2008064311-A2 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES VIAMET PHARMACEUTICALS, INC. (US) 2008-05-29 — — 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 (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-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 PDE4A 284/4885PDE4B 377/4885PDE4C 448/4885
US-20100305078-A1 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES NQO1, SOD1, MDH2 PDE4A 3086/4885PDE4B 3572/4885PDE4C 3541/4885

“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.

Send feedback