SCHEMBL1623264

SCHEMBL1623264

COC(=O)COCCc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.47
▸ KMT2A Q03164 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ CNR1 P21554 1/20 0.44
▸ PLAAT3 P53816 1/20 0.43
▸ PLAAT5 Q96KN8 1/20 0.43
▸ PLAAT2 Q9NWW9 1/20 0.43
▸ PLAAT4 Q9UL19 1/20 0.43
▸ APEX1 P27695 1/20 0.42

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
SCHEMBL16542337 0.85 MAOA (0.47) TAAR1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL1624781 0.84 ALOX5 (0.46) TAAR1KMT2AALDH1A1MEN1CNR1
SCHEMBL3893736 0.83 ALDH1A1 (0.51) TAAR1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL3251835 0.82 MTNR1A (0.55) TAAR1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL1625096 0.82 TAAR1 (0.47) TAAR1KMT2AMEN1CNR1
SCHEMBL9545043 0.81 KMT2A (0.54) TAAR1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL5060301 0.81 TDP1 (0.50) ALDH1A1
SCHEMBL378633 0.78 SLC7A5 (0.55) KMT2AALDH1A1MEN1SMN1; SMN2HPGD
SCHEMBL9542924 0.77 TAAR1 (0.55) TAAR1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4281756 0.77 APP (0.48) TAAR1KMT2AALDH1A1MEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928106-B2 2-[2-(2,5-Difluoro-phenyl)-ethoxymethyl]-3H-pteridin-4-one; 2-2-(3-Fluoro-phenyl)-ethoxymethyl]-3H-pyrimido[4,5-d]pyrimidin-4-one; (5-Oxo-5,6-dihydro-pyrimido[4,5-c]pyridazin-7-ylmethyl)-carbamic acid benzyl ester, useful in treating diseases which are modulated by HM74A agonists e.g. dyslipidemia HOFFMANN-LA ROCHE INC. (US) 2011-04-19 — — US disclosed
EP-2029601-B1 PYRIDOPYRIMIDINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-02 — — EP disclosed
EP-2139895-A1 AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-01-06 — — EP disclosed
US-7572801-B2 Pyridopyrimidinone derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-11 — — US disclosed
EP-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 — — EP disclosed
WO-2008116742-A1 AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-02 — — WO disclosed
US-20080234277-A1 NOVEL AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 — — US 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-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists GPR119, HCAR1, GPR84 TAAR1 42/4885KMT2A 2087/4885ALDH1A1 1422/4885
US-20080234277-A1 NOVEL AZA-PYRIDOPYRIMIDINONE DERIVATIVES CHRM1, CHRM2, CHRM4 TAAR1 108/4885KMT2A 893/4885ALDH1A1 543/4885

“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