SCHEMBL1887382

SCHEMBL1887382

O=C(Nc1cccnc1)c1cccc2[nH]c(-c3ccc(N4CCOCC4)cc3C(F)(F)F)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 1/20 0.45
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGES O14684 2/20 0.44
PARP1 P09874 2/20 0.43
AKT1 P31749 1/20 0.41
RAF1 P04049 2/20 0.41
BRAF P15056 2/20 0.41
MCL1 Q07820 1/20 0.41
PRKCA P17252 1/20 0.41
GSK3B P49841 1/20 0.41
PRKCQ Q04759 1/20 0.41
FLT3 P36888 2/20 0.41
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL1893592 0.94 CLK2 (0.45) CLK2TP53SMN1; SMN2PTGESPARP1
SCHEMBL12662266 0.94 CLK2 (0.47) CLK2TP53SMN1; SMN2PTGESPARP1
SCHEMBL13551081 0.90 PTGES (0.43) CLK2PTGESPARP1MCL1GSK3B
SCHEMBL12662760 0.89 PTGES (0.42) CLK2PTGESPARP1RAF1BRAF
SCHEMBL13551112 0.89 PTGES (0.42) CLK2PTGESPARP1RAF1BRAF
SCHEMBL12662219 0.88 CLK2 (0.45) CLK2TP53SMN1; SMN2PARP1AKT1
SCHEMBL12662269 0.88 CLK2 (0.44) CLK2PTGESPARP1PRKCAGSK3B
SCHEMBL12662267 0.88 CLK2 (0.44) CLK2PTGESPARP1PRKCAGSK3B
SCHEMBL12662335 0.87 PTGES (0.44) CLK2PTGESPARP1BRAFGSK3B
SCHEMBL12662477 0.87 PTGES (0.45) CLK2TP53SMN1; SMN2PTGESAKT1

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 12 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
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-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 US disclosed
US-8846947-B2 Benzimidazoles and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2014-09-30 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
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
EP-2315763-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-05-04 EP disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 WO 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 CLK2 381/4885TP53 1222/4885SMN1; SMN2 2090/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 CLK2 309/4885TP53 821/4885SMN1; SMN2 2143/4885

“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.