SCHEMBL3264645

SCHEMBL3264645

OCCc1ccc(F)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX5 P09917 1/20 0.47
BACE1 P56817 1/20 0.47
DAO P14920 1/20 0.45
PNMT P11086 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
PIK3CA P42336 1/20 0.45
CA2 P00918 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL80687 0.88 IGF1R (0.44) MAPTGAAALDH1A1DAOPNMT
SCHEMBL7452563 0.85 RPA1 (0.46) MAPTGAATAAR1CA2MEN1
SCHEMBL3978582 0.83 MAPT (0.47) MAPTGAAALDH1A1KDM4EALOX5
SCHEMBL2195620 0.83 PIK3CA (0.47) MAPTGAAALDH1A1DAOPIK3CA
SCHEMBL23850015 0.81 TAAR1 (0.47) MAPTGAAALDH1A1DAOPNMT
SCHEMBL793707 0.81 TAAR1 (0.69) MAPTGAAALDH1A1KDM4EDAO
SCHEMBL14656136 0.81 SOS1 (0.51) MAPTGAAALDH1A1KDM4EALOX5
SCHEMBL30986331 0.80 ALDH1A1 (0.52) MAPTGAAALDH1A1KDM4EALOX5
SCHEMBL908524 0.80 PNMT (0.61) MAPTGAAALDH1A1KDM4EALOX5
SCHEMBL1238835 0.80 ALDH1A1 (0.52) MAPTGAAALDH1A1KDM4EALOX5

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
EP-3883938-A1 INHIBITORS OF ARGINASE Praxis Biotech LLC (US) 2021-09-29 EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP disclosed
US-8703776-B2 Agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2014-04-22 US disclosed
US-8703776-B2 Agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2014-04-22 US disclosed
US-8703776-B2 Agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2014-04-22 US disclosed
CN-101360422-B Oncogenic Ras-specific cytotoxic compound and methods of usethereof UNIV TEXAS 2013-10-23 CN disclosed
US-20130059856-A1 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
US-20130059856-A1 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
US-20130059856-A1 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
WO-2012174164-A2 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2012-12-20 WO disclosed
WO-2012174164-A2 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2012-12-20 WO disclosed
CN-101448836-B Pyridopyrimidinone derivatives HOFFMAN-LA ROCHE LTD. (CH) 2011-12-14 CN disclosed
EP-2029601-B1 PYRIDOPYRIMIDINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-02 EP disclosed
US-7572801-B2 Pyridopyrimidinone derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
CN-101448836-A Pyridopyrimidinone derivatives HOFFMANN LA ROCHE (CH) 2009-06-03 CN disclosed
EP-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
CN-101360422-A Oncogenic ras-specific cytotoxic compound and methods of usethereof UNIV TEXAS (US) 2009-02-04 CN disclosed
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists HOFFMAN-LA ROCHE INC 2007-11-29 US disclosed
WO-2007134986-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 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-20130059856-A1 AGONISTS OF GPR131 AND USES THEREOF GPR119, GPR88, GPR27 MAPT 4384/4885GAA 2680/4885ALDH1A1 2488/4885
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists GPR119, HCAR1, GPR84 MAPT 4450/4885GAA 2961/4885ALDH1A1 1422/4885

“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.