SCHEMBL12029121

SCHEMBL12029121

Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NC(=O)c3cscn3)cccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ TRPA1 O75762 1/20 0.40
▸ DHODH Q02127 5/20 0.39
▸ KIT P10721 2/20 0.39
▸ BRAF P15056 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HSD17B13 Q7Z5P4 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ LDHA P00338 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ POLQ O75417 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL12029119 0.87 CYP2C9 (0.45) BRAFPIM1ADORA3
SCHEMBL12029120 0.87 ALDH1A1 (0.47) IRAK4DHODHKITBRAFSCN10A
SCHEMBL1033832 0.78 IRAK4 (0.47) IRAK4DHODHHDAC1PIM1SCN10A
SCHEMBL12029187 0.78 L3MBTL1 (0.52) SCN10A
SCHEMBL12029297 0.78 GAA (0.49) IRAK4HDAC1HDAC6
SCHEMBL1937113 0.77 P2RY14 (0.45) IRAK4DHODHHDAC1HDAC6PIM1
SCHEMBL9980916 0.76 TLR7 (0.49) BRAF
SCHEMBL12219992 0.76 GPR35 (0.42) DHODH
SCHEMBL12029118 0.75 LMNA (0.45) TRPA1DHODHKITPOLQ
SCHEMBL12029126 0.75 NPC1 (0.43) TRPA1DHODHBRAFFGFR4HDAC6

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
US-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 — — US disclosed
US-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 — — US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 — — US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 — — US disclosed
WO-2010037129-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC. (US) 2010-04-01 — — 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-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 IRAK4 2196/4885TRPA1 3608/4885DHODH 1125/4885

“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.

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