SCHEMBL12029168

SCHEMBL12029168

O=C(Nc1cccc2c(=O)n(CCN3CCCC3)c(-c3cccc(C(F)(F)F)c3)nc12)c1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.47
▸ GRIN1 Q05586 6/20 0.45
▸ GRIN2B Q13224 6/20 0.45
▸ BRAF P15056 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SRPK1 Q96SB4 1/20 0.42
▸ NPY5R Q15761 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TRPV4 Q9HBA0 2/20 0.39
▸ ACP1 P24666 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL12029165 0.89 BRAF (0.49) GRIN1GRIN2BBRAFSMN1; SMN2SRPK1
SCHEMBL12029162 0.87 BRAF (0.50) GRIN1GRIN2BBRAFSMN1; SMN2SRPK1
SCHEMBL15906713 0.86 GRIN1 (0.42) OPRK1GRIN1GRIN2BBRAFTRPV4
SCHEMBL12029122 0.86 BRAF (0.51) GRIN1GRIN2BBRAFSMN1; SMN2NPY5R
SCHEMBL12029167 0.85 BRAF (0.48) GRIN1GRIN2BBRAFSMN1; SMN2SRPK1
SCHEMBL12029204 0.83 BRAF (0.49) BRAFSMN1; SMN2NPY5RGAA
SCHEMBL12029220 0.79 GRIN1 (0.44) GRIN1GRIN2BTRPV4ACP1RXFP1
SCHEMBL12029186 0.77 SMN1; SMN2 (0.49) BRAFSMN1; SMN2NPY5RGAA
SCHEMBL12029333 0.77 ACP1 (0.40) GRIN1GRIN2BSRPK1NPY5RTRPV4
SCHEMBL9980916 0.76 TLR7 (0.49) BRAFNPY5RTRPV4

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 OPRK1 2925/4885GRIN1 3216/4885GRIN2B 3776/4885

“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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