SCHEMBL1034151

SCHEMBL1034151

O=C(O)c1cccc2ccc(-c3cccc(O[C@@H]4CCNC4)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 3/20 0.45
PARP1 P09874 1/20 0.43
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
DHODH Q02127 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
ROCK1 Q13464 2/20 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
SCHEMBL1034153 1.00 PRKCZ (0.45) PRKCZPARP1PIM1PIM2MKNK1
SCHEMBL1035374 0.86 CNR2 (0.41) PRKCZPARP1
SCHEMBL1035375 0.86 CNR2 (0.41) PRKCZPARP1
SCHEMBL1032614 0.82 ROCK1 (0.42) PRKCZMKNK1MKNK2CHRNB2CHRNA4
SCHEMBL1032612 0.82 ROCK1 (0.42) PRKCZMKNK1MKNK2CHRNB2CHRNA4
SCHEMBL1033993 0.80 CNR2 (0.42) PARP1
SCHEMBL1033051 0.79 RXFP1 (0.43)
SCHEMBL1034423 0.76 GPR119 (0.46) PARP1
SCHEMBL1034760 0.76 SIRT2 (0.47)
SCHEMBL1035721 0.76 DYRK1A (0.50) MKNK1MKNK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PRKCZ 3249/4885PARP1 183/4885PIM1 4218/4885

“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.