SCHEMBL2458968

SCHEMBL2458968

CC(C)C(C(N)=O)n1c(-c2ccc(F)c(Cl)c2)nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC(C)(C)C3)cc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.37
P2RX7 Q99572 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
IDO2 Q6ZQW0 1/20 0.36
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
F2RL1 P55085 2/20 0.34
PGK1 P00558 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ENPP2 Q13822 1/20 0.32
ALOX5 P09917 1/20 0.32
CNR1 P21554 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL2457147 0.91 SMPD3 (0.38) AVPR1AP2RX7IDO1TDO2IDO2
SCHEMBL2458643 0.88 P2RX7 (0.40) AVPR1AP2RX7IDO1TDO2IDO2
SCHEMBL2458972 0.83 AVPR1B (0.47) AVPR1A
SCHEMBL2458954 0.82 P2RX7 (0.42) AVPR1AP2RX7IDO1TDO2IDO2
SCHEMBL2462035 0.82 AVPR1A (0.40) AVPR1AP2RX7MAP4K4
SCHEMBL2458842 0.75 AVPR1B (0.41) AVPR1AMAPT
SCHEMBL2463887 0.74 AVPR1B (0.51) AVPR1A
SCHEMBL2457152 0.74 AVPR1B (0.55) AVPR1A
SCHEMBL2487317 0.73 ALK (0.41) P2RX7IDO1TDO2IDO2MAPT
SCHEMBL2458754 0.73 AVPR1B (0.51) 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 859/4885P2RX7 748/4885IDO1 411/4885

“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.