SCHEMBL9980760

SCHEMBL9980760

O=C(Nc1cccc2c(=O)[nH]c(-c3cccc(C(F)(F)F)c3)nc12)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 3/20 0.51
▸ TNKS O95271 4/20 0.47
▸ TNKS2 Q9H2K2 4/20 0.47
▸ PARP1 P09874 3/20 0.47
▸ BRAF P15056 1/20 0.46
▸ PARP2 Q9UGN5 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NPY5R Q15761 2/20 0.42
▸ PIN1 Q13526 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL12029050 0.90 SMN1; SMN2 (0.49) TLR7TNKSTNKS2PARP1BRAF
SCHEMBL12673259 0.87 PARP1 (0.57) TLR7PARP1BRAFRXFP1PIN1
SCHEMBL12029142 0.82 PARP1 (0.48) TLR7TNKSTNKS2PARP1PARP2
SCHEMBL9980916 0.80 TLR7 (0.49) TLR7BRAFNPY5RKDM4EMEN1
SCHEMBL12029402 0.78 TLR7 (0.49) TLR7BRAFRXFP1NPY5RALDH1A1
SCHEMBL12673172 0.77 PARP1 (0.54) TLR7PARP1BRAFPIN1ALDH1A1
SCHEMBL1895860 0.76 PARP1 (0.54) TLR7PARP1RXFP1PIN1ALDH1A1
SCHEMBL12029284 0.75 SMN1; SMN2 (0.49) TNKSTNKS2PARP1ALDH1A1MEN1
SCHEMBL12220016 0.74 CYP1A1 (0.56) TLR7BRAFNPY5RALDH1A1NPC1
SCHEMBL12049285 0.74 TNKS (0.54) TNKSTNKS2PARP1PARP2PIN1

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
US-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 — — US disclosed
EP-2344475-B1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-07-30 — — EP disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 — — 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-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 TLR7 2310/4885TNKS 414/4885TNKS2 803/4885

“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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