SCHEMBL3252201

SCHEMBL3252201

N=C(N)COCCc1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
IDO1 P14902 2/20 0.42
ALDH1A1 P00352 1/20 0.41
AOC3 Q16853 1/20 0.41
MAOB P27338 4/20 0.41
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.38
MPO P05164 2/20 0.37
HCAR2 Q8TDS4 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TMPRSS6 Q8IU80 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
HPGD P15428 1/20 0.36
NR3C2 P08235 1/20 0.35
SCN3A Q9NY46 1/20 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
Hydrochloric Acid SCHEMBL3665036 0.98 TAAR1 (0.47) TAAR1IDO1ALDH1A1AOC3MAOB
Hydrochloric Acid SCHEMBL1630002 0.98 TAAR1 (0.47) TAAR1IDO1ALDH1A1AOC3MAOB
SCHEMBL28694560 0.80 TAAR1 (0.60) TAAR1IDO1ALDH1A1AOC3MAOB
Hydrochloric Acid SCHEMBL1624459 0.80 IDO1 (0.36) IDO1ALDH1A1MPO
Hydrochloric Acid SCHEMBL3254750 0.79 TAAR1 (0.49) TAAR1IDO1AOC3MAOBSIRT2
SCHEMBL13886094 0.78 TAAR1 (0.46) TAAR1ALDH1A1MAOBPARP15PARP14
SCHEMBL4841912 0.77 TAAR1 (0.57) TAAR1IDO1ALDH1A1AOC3MAOB
SCHEMBL16542307 0.77 MAOB (0.48) TAAR1IDO1ALDH1A1AOC3MAOB
SCHEMBL1965928 0.75 TAAR1 (0.50) TAAR1IDO1ALDH1A1AOC3MAOB
Hydrochloric Acid SCHEMBL4717599 0.75 TAAR1 (0.55) TAAR1IDO1ALDH1A1AOC3MAOB

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
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
EP-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP 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 (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-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists GPR119, HCAR1, GPR84 TAAR1 42/4885IDO1 858/4885ALDH1A1 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.