SCHEMBL5374331

SCHEMBL5374331

O=c1[nH]oc2cncnc12

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 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
SCHEMBL11152791 0.89 DAO (0.33) DAO
SCHEMBL12432729 0.68 DAO (0.48) DAO
SCHEMBL16576782 0.67 FTO (0.38)
SCHEMBL17917478 0.66 EGFR (0.31)
SCHEMBL30493644 0.64 DAO (0.53) DAO
SCHEMBL913618 0.64
SCHEMBL2196062 0.64 MAPK14 (0.36)
SCHEMBL14714612 0.64 PDE3B (0.37)
SCHEMBL1811183 0.63 ALOX5 (0.31)
SCHEMBL338446 0.61 PDE3B (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262186-B2 Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-20050176737-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2005-08-11 US disclosed
US-6777416-B2 CYCLIC GUANOSINE 3',5'-MONOPHOPHATE METABOLIZING PHOSPHO-DIESTERASE INHIBITORS; HAVING HYDROXY- OR ALKOXY- BENZENE SULFONAMIDE FUNCTIONALITY BAYER AKTIENGESELLSCHAFT (DE) 2004-08-17 US disclosed
US-20030149033-A1 Isoxazolo pyrimidinones and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2003-08-07 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 (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-20030149033-A1 Isoxazolo pyrimidinones and the use thereof DHFR, HPRT1, DPYD DAO 65/4885
US-20050176737-A1 Mitotic kinesin inhibitors KIF5B, KIFC1, KIF2C DAO 4290/4885

“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.