SCHEMBL12673102

SCHEMBL12673102

O=C(Nc1ccncn1)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.62
▸ PKN1 Q16512 5/20 0.49
▸ PKN2 Q16513 5/20 0.49
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ MPL P40238 1/20 0.47
▸ PLK4 O00444 1/20 0.44
▸ MAPK13 O15264 1/20 0.44
▸ DYRK3 O43781 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ RPS6KA5 O75582 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ CHEK2 O96017 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ PHKG2 P15735 1/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44

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
SCHEMBL12673307 0.89 PARP1 (0.64) PARP1PKN1PKN2CHRNB2CHRNB4
SCHEMBL12673305 0.87 PARP1 (0.62) PARP1PKN1PKN2DYRK1ARXFP1
SCHEMBL12673377 0.86 PARP1 (0.67) PARP1PKN1PKN2PLK4MAPK13
SCHEMBL12673126 0.85 PARP1 (0.68) PARP1PKN1PKN2RXFP1PIN1
SCHEMBL12673104 0.84 PARP1 (0.61) PARP1
SCHEMBL12673384 0.84 PARP1 (0.63) PARP1PKN1PKN2PIN1
SCHEMBL12673092 0.83 PARP1 (0.66) PARP1PKN1PKN2RXFP1PIN1
SCHEMBL12673186 0.82 PARP1 (0.63) PARP1PKN1PKN2CLK2RXFP1
SCHEMBL12673116 0.81 PARP1 (0.62) PARP1PKN1PKN2RXFP1
SCHEMBL12673103 0.81 PARP1 (0.62) PARP1PKN1PKN2PIN1

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-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-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 287/4885PKN1 1869/4885PKN2 2053/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885PKN1 2208/4885PKN2 2566/4885

“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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