SCHEMBL2462496

SCHEMBL2462496

COc1cc(-c2nc3ccc(N4CCCN(CCO)CC4)cc3c(=O)n2CC(=O)OC(C)(C)C)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 16/20 0.45
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ALK Q9UM73 1/20 0.38

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
SCHEMBL2460795 0.93 AVPR1B (0.47) AVPR1BKDM4EMEN1ALDH1A1POLB
SCHEMBL2456380 0.90 AVPR1B (0.51) AVPR1B
SCHEMBL2457276 0.87 AVPR1B (0.60) AVPR1B
SCHEMBL12333771 0.86 AVPR1B (0.53) AVPR1B
SCHEMBL2491084 0.86 AVPR1B (0.53) AVPR1B
SCHEMBL2463581 0.86 AVPR1B (0.53) AVPR1B
SCHEMBL2458811 0.85 AVPR1B (0.51) AVPR1B
SCHEMBL2462073 0.85 AVPR1B (0.52) AVPR1B
SCHEMBL2461707 0.84 AVPR1B (0.51) AVPR1BKDM4EMEN1ALDH1A1POLB
SCHEMBL2461122 0.83 AVPR1B (0.42) AVPR1BKDM4EMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069315-B1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES ORGANON NV (NL) 2011-09-07 EP disclosed
US-7820649-B2 Quinazolinone and isoquinolinone acetamide derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 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 (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-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES NQO2, GATD3, SDHA AVPR1B 839/4885KCNH2 1352/4885SCN5A 378/4885

“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.