SCHEMBL2458643

SCHEMBL2458643

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.40
AVPR1A P37288 1/20 0.39
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 2/20 0.36
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
IDO2 Q6ZQW0 1/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
ALOX5 P09917 1/20 0.34
ALK Q9UM73 3/20 0.33
TRPV3 Q8NET8 2/20 0.33
MC4R P32245 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL2458968 0.88 AVPR1A (0.37) P2RX7AVPR1AMMP2MMP13MMP14
SCHEMBL2462035 0.86 AVPR1A (0.40) P2RX7AVPR1ANR1H2NR1H3
SCHEMBL2458647 0.83 AVPR1A (0.49) AVPR1A
SCHEMBL2458954 0.82 P2RX7 (0.42) P2RX7AVPR1AMMP2MMP13MMP14
SCHEMBL2457147 0.80 SMPD3 (0.38) P2RX7AVPR1ANR1H2NR1H3MMP2
SCHEMBL2458842 0.75 AVPR1B (0.41) AVPR1A
SCHEMBL2463887 0.74 AVPR1B (0.51) AVPR1A
SCHEMBL2487317 0.73 ALK (0.41) P2RX7IDO1TDO2IDO2ALK
SCHEMBL2458754 0.73 AVPR1B (0.51) AVPR1A
SCHEMBL2457162 0.72 AVPR1A (0.42) P2RX7AVPR1AALOX5

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 P2RX7 748/4885AVPR1A 859/4885NR1H2 1739/4885

“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.