SCHEMBL2487319

SCHEMBL2487319

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 7/20 0.48
P2RX7 Q99572 2/20 0.42
ALK Q9UM73 2/20 0.41
SMPD3 Q9NY59 1/20 0.41
GALR2 O43603 1/20 0.40
GALR1 P47211 1/20 0.40
SUV39H2 Q9H5I1 2/20 0.39
ENPP2 Q13822 2/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 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
SCHEMBL2462974 0.93 AVPR1B (0.58) AVPR1B
SCHEMBL2458955 0.91 AVPR1B (0.48) AVPR1BP2RX7SUV39H2ENPP2IDO1
SCHEMBL2461117 0.89 AVPR1B (0.53) AVPR1BIDO1TDO2IDO2
SCHEMBL2458807 0.88 AVPR1B (0.52) AVPR1B
SCHEMBL3451853 0.88 AVPR1B (0.53) AVPR1B
SCHEMBL2456380 0.87 AVPR1B (0.51) AVPR1B
SCHEMBL2457166 0.87 AVPR1B (0.52) AVPR1B
SCHEMBL2458835 0.86 AVPR1B (0.48) AVPR1B
SCHEMBL3450827 0.86 AVPR1B (0.51) AVPR1BIDO1TDO2IDO2
SCHEMBL2458754 0.84 AVPR1B (0.51) AVPR1B

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-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
EP-2069315-A2 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. Organon (NL) 2009-06-17 EP disclosed
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 US disclosed
WO-2008033764-A2 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-03-20 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-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES NQO2, GATD3, SDHA AVPR1B 839/4885P2RX7 748/4885ALK 2301/4885

“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.