SCHEMBL12029222

SCHEMBL12029222

Cn1c(-c2cccc(CN3CCCC3)c2)nc2c(C(=O)Nc3ccccn3)cccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 3/20 0.44
▸ DYRK1A Q13627 3/20 0.44
▸ MET P08581 1/20 0.44
▸ AVPR1B P47901 9/20 0.43
▸ SLC2A1 P11166 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ FAAH O00519 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ DRD4 P21917 1/20 0.40

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
SCHEMBL465961 0.92 ADORA3 (0.47) WNT1DYRK1AMETSLC2A1ALDH1A1
SCHEMBL12029129 0.84 CHRNB2 (0.52) ALDH1A1NPC1RAB9APOLB
SCHEMBL13419279 0.83 ALDH1A1 (0.46) ALDH1A1NPC1RAB9APOLB
SCHEMBL15906699 0.82 MEN1 (0.42) ALDH1A1NPC1RAB9APOLB
SCHEMBL12029146 0.81 NPC1 (0.48) ALDH1A1NPC1RAB9APOLB
SCHEMBL9980944 0.80 ALDH1A1 (0.44) ALDH1A1NPC1RAB9APOLB
SCHEMBL12029145 0.80 ALDH1A1 (0.44) ALDH1A1NPC1RAB9APOLB
SCHEMBL12029313 0.80 ALDH1A1 (0.44) ALDH1A1NPC1RAB9APOLB
SCHEMBL12029188 0.80 GRM5 (0.47) ALDH1A1NPC1RAB9APOLB
SCHEMBL12029128 0.80 RAF1 (0.47) ALDH1A1NPC1RAB9APOLB

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 WNT1 3046/4885DYRK1A 1499/4885MET 4745/4885

“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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