SCHEMBL3757550

SCHEMBL3757550

Oc1ncnc2nc(-c3ccccc3)[nH]c12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 3/20 0.67
PI4K2B Q8TCG2 3/20 0.67
PI4K2A Q9BTU6 3/20 0.67
PI4KB Q9UBF8 3/20 0.67
GSK3B P49841 2/20 0.60
CSF1R P07333 5/20 0.56
EGFR P00533 2/20 0.49
PRMT5 O14744 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
FGFR1 P11362 2/20 0.45
FGFR2 P21802 2/20 0.45
XDH P47989 1/20 0.43

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
SCHEMBL9731613 0.80 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBGSK3B
SCHEMBL783654 0.80 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBGSK3B
SCHEMBL9175738 0.80 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBGSK3B
SCHEMBL30602927 0.76 GSK3B (0.72) PI4KAPI4K2BPI4K2API4KBGSK3B
SCHEMBL2639251 0.76 ADORA2A (0.37) PI4KAPI4K2BPI4K2API4KBGSK3B
SCHEMBL6783432 0.75 ADORA3 (0.51) ADORA3ADORA2AADORA1ALDH1A1CYP3A4
SCHEMBL3306014 0.73 PNP (0.49) PI4KAPI4K2BPI4K2API4KBCSF1R
SCHEMBL8906323 0.71 AKT2 (0.44) PI4KAPI4K2BPI4K2API4KBCSF1R
SCHEMBL14022271 0.70 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBGSK3B
SCHEMBL28700989 0.70 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102335164-B Application of 5,6,7,4'-tetrahydroxy flavone and derivatives thereof in preparation of drugs for preventing and treating hyperuricemia and gout KUNMING PHARMACEUTICAL CORP 2014-07-30 CN 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
CN-102335164-A Application of 5,6,7,4'-tetrahydroxy flavone and derivatives thereof in preparation of drugs for preventing and treating hyperuricemia and gout KUNMING PHARMACEUTICAL CORP 2012-02-01 CN 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 PI4KA 4376/4885PI4K2B 4131/4885PI4K2A 4206/4885

“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.