SCHEMBL2462035

SCHEMBL2462035

CC(C)C(C(N)=O)n1c(-c2ccc(F)c(Cl)c2)nc2ccc(N3CCCN(C(=O)OC(C)(C)C)C(C)C3)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.40
NR1H2 P55055 5/20 0.37
NR1H3 Q13133 5/20 0.37
MAP4K4 O95819 1/20 0.37
SUV39H2 Q9H5I1 2/20 0.36
P2RX7 Q99572 1/20 0.33
HDAC1 Q13547 1/20 0.32
ACACB O00763 2/20 0.32
CCR1 P32246 2/20 0.31
MGLL Q99685 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
NTRK1 P04629 1/20 0.31
TNF P01375 1/20 0.30

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
SCHEMBL2458643 0.86 P2RX7 (0.40) AVPR1ANR1H2NR1H3P2RX7
SCHEMBL2462037 0.84 AVPR1B (0.48) AVPR1A
SCHEMBL2458968 0.82 AVPR1A (0.37) AVPR1AMAP4K4P2RX7
SCHEMBL2459358 0.81 AVPR1B (0.35) AVPR1ANR1H2NR1H3MAP4K4SUV39H2
SCHEMBL2458954 0.80 P2RX7 (0.42) AVPR1ASUV39H2P2RX7
SCHEMBL2457147 0.74 SMPD3 (0.38) AVPR1ANR1H2NR1H3P2RX7
SCHEMBL2458842 0.73 AVPR1B (0.41) AVPR1A
SCHEMBL2487317 0.72 ALK (0.41) SUV39H2P2RX7
SCHEMBL2458754 0.71 AVPR1B (0.51) AVPR1A
SCHEMBL2458647 0.71 AVPR1A (0.49) AVPR1A

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 AVPR1A 859/4885NR1H2 1739/4885NR1H3 2261/4885

“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.