SCHEMBL3757599

SCHEMBL3757599

S=c1[nH]c(Cc2ccccc2)nc2nc[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
PNP P00491 1/20 0.45
NUDT1 P36639 2/20 0.44
CDK1 P06493 3/20 0.44
PIN1 Q13526 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CCNB1 P14635 2/20 0.44
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CYP2C19 P33261 2/20 0.44
CCNA1 P78396 2/20 0.44
LMNA P02545 1/20 0.44
MGMT P16455 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL5084818 0.82 PNP (0.58) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL3757595 0.77 ALDH1A1 (0.50) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL72543 0.72 CDK2 (0.62) PDE4APDE4BPDE4CPDE4DNUDT1
SCHEMBL1081386 0.72 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DNUDT1
SCHEMBL30846558 0.72 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DNUDT1
SCHEMBL11135477 0.71 TDP1 (0.44) PNPCDK1CCNB1CCNA2CDK2
Hydrochloric Acid SCHEMBL27818634 0.71 CDK2 (0.60) PDE4APDE4BPDE4CPDE4DNUDT1
SCHEMBL28817761 0.71 ADORA3 (0.49) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL27886988 0.71 CDK2 (0.60) PDE4APDE4BPDE4CPDE4DNUDT1
SCHEMBL10144731 0.70 KMT2A (0.66) TSHRGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.