SCHEMBL2488028

SCHEMBL2488028

C[C@@H]1CN(c2ccc3nc(-c4ccc(F)c(Cl)c4)n(CC(=O)NC(C)(C)C(F)(F)F)c(=O)c3c2)CCN1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 15/20 0.40
AVPR1B P47901 3/20 0.40
ENPP2 Q13822 1/20 0.38
GHSR Q92847 1/20 0.37

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
SCHEMBL3453334 1.00 AVPR1A (0.40) AVPR1AAVPR1BENPP2GHSR
SCHEMBL3450760 0.88 AVPR1A (0.40) AVPR1AAVPR1BENPP2GHSR
SCHEMBL2465199 0.88 AVPR1A (0.40) AVPR1AAVPR1BENPP2GHSR
SCHEMBL2462013 0.88 AVPR1A (0.53) AVPR1AAVPR1B
SCHEMBL2462011 0.88 AVPR1A (0.53) AVPR1AAVPR1B
SCHEMBL2462383 0.86 AVPR1A (0.39) AVPR1AAVPR1BENPP2GHSR
SCHEMBL2462382 0.86 AVPR1A (0.39) AVPR1AAVPR1BENPP2GHSR
SCHEMBL2458854 0.84 AVPR1A (0.52) AVPR1AAVPR1B
SCHEMBL2465281 0.82 AVPR1B (0.45) AVPR1AAVPR1BENPP2
SCHEMBL2456405 0.81 AVPR1A (0.52) AVPR1AAVPR1B

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
EP-2069315-B1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES ORGANON NV (NL) 2011-09-07 EP disclosed
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-7820649-B2 Quinazolinone and isoquinolinone acetamide derivatives N.V. ORGANON (NL) 2010-10-26 US 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
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 US 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 AVPR1A 859/4885AVPR1B 839/4885ENPP2 2856/4885

“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.