SCHEMBL1894207

SCHEMBL1894207

O=C(Nc1ccccn1)c1cccc2[nH]c(-c3cc(CN4CCCC4)ccc3C(F)(F)F)nc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.48
DYRK1A Q13627 3/20 0.44
WNT1 P04628 2/20 0.44
DHODH Q02127 1/20 0.43
AURKB Q96GD4 2/20 0.40
PIM1 P11309 1/20 0.40
FLT3 P36888 1/20 0.40
PIM3 Q86V86 1/20 0.40
BRSK1 Q8TDC3 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
KDR P35968 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
FAAH O00519 1/20 0.40
ACKR3 P25106 2/20 0.39

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
SCHEMBL1895926 0.94 PARP1 (0.48) PARP1DYRK1AWNT1DHODHAURKB
SCHEMBL1893923 0.88 PARP1 (0.53) PARP1DYRK1AWNT1DHODHAURKB
SCHEMBL12662471 0.86 PARP1 (0.46) PARP1DHODHPIM1
SCHEMBL12662369 0.86 PARP1 (0.46) PARP1DYRK1AWNT1DHODHAURKB
SCHEMBL1891861 0.86 PARP1 (0.47) PARP1DHODHAURKBKDRFAAH
SCHEMBL12662185 0.86 PARP1 (0.52) PARP1DHODHAURKBKDR
SCHEMBL13551078 0.84 PARP1 (0.47) PARP1DHODHAURKBPIM1FLT3
SCHEMBL12673141 0.83 PARP1 (0.52) PARP1DHODH
SCHEMBL12662022 0.83 PARP1 (0.51) PARP1DHODH
SCHEMBL12662336 0.82 PARP1 (0.47) PARP1PIM1KDR

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 10 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-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
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 PARP1 287/4885DYRK1A 3654/4885WNT1 2688/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885DYRK1A 2852/4885WNT1 2920/4885

“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.