SCHEMBL12662001

SCHEMBL12662001

O=C(Nc1ccccn1)c1cccc2[nH]c(-c3ccc(N4CCOCC4)cc3C(F)(F)F)nc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.44
MAPK10 P53779 4/20 0.42
MAPK9 P45984 3/20 0.42
PTGES O14684 1/20 0.42
CBFB Q13951 1/20 0.42
PRKCA P17252 2/20 0.41
PRKCQ Q04759 2/20 0.41
GSK3B P49841 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
ULK1 O75385 1/20 0.41
PTK2 Q05397 3/20 0.41
GRIA1 P42261 1/20 0.41
FLT3 P36888 1/20 0.41
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 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
SCHEMBL12662049 0.94 PRKCA (0.45) PARP1MAPK10MAPK9PTGESCBFB
SCHEMBL12662336 0.94 PARP1 (0.47) PARP1PTGES
SCHEMBL12662306 0.91 PARP1 (0.41) PARP1MAPK10MAPK9PTGESPRKCA
SCHEMBL12662213 0.90 PARP1 (0.42) PARP1MAPK10MAPK9PTGESPRKCA
SCHEMBL12662497 0.89 PARP1 (0.41) PARP1MAPK10MAPK9PTGESPRKCA
SCHEMBL12662216 0.88 CBFB (0.42) PARP1MAPK10CBFBGRIA1PIK3CA
SCHEMBL12662471 0.88 PARP1 (0.46) PARP1PTGES
SCHEMBL12662343 0.88 PARP1 (0.43) PARP1PTGESPRKCAPRKCQGSK3B
SCHEMBL12662340 0.88 PARP1 (0.43) PARP1PTGESPRKCAPRKCQGSK3B
SCHEMBL13551111 0.87 SCN9A (0.43) PARP1PTGESSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 EP disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 US disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 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 (2 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-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 287/4885MAPK10 1990/4885MAPK9 1608/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885MAPK10 2796/4885MAPK9 2330/4885

“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.