SCHEMBL12662009

SCHEMBL12662009

O=C(Nc1cccc2[nH]c(-c3ccc(Cl)cc3C(F)(F)F)nc12)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 1/20 0.51
▸ CLK3 P49761 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ KCNMA1 Q12791 1/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ HTT P42858 2/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.45
▸ IKBKB O14920 1/20 0.45
▸ CHUK O15111 1/20 0.45
▸ ICOSLG O75144 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ PIM3 Q86V86 1/20 0.45
▸ IKBKG Q9Y6K9 1/20 0.45
▸ ICOS Q9Y6W8 1/20 0.45
▸ STK33 Q9BYT3 1/20 0.44
▸ SCN5A Q14524 1/20 0.44
▸ SCN9A Q15858 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
SCHEMBL12661886 0.89 PARP1 (0.54) CLK2CLK3DYRK1AMEN1KMT2A
SCHEMBL12662006 0.87 SMN1; SMN2 (0.45) MEN1KMT2AMAPK1TRPV1TSHR
SCHEMBL12661937 0.85 CLK2 (0.57) CLK2CLK3DYRK1AMEN1KMT2A
SCHEMBL12662004 0.84 PARP1 (0.46) MEN1KMT2ATRPV1CHUKICOSLG
SCHEMBL12673330 0.82 KCNMA1 (0.52) CLK2KCNMA1MEN1KMT2ARXFP1
SCHEMBL12673112 0.80 RXFP1 (0.58) CLK2CLK3DYRK1AMEN1KMT2A
SCHEMBL12662003 0.80 TRPV1 (0.43) MEN1KMT2ATRPV1PIM1STK33
SCHEMBL12662449 0.80 KDM4E (0.45) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL12673080 0.77 PARP1 (0.51) CLK2DYRK1AKCNMA1HTTMAPK1
SCHEMBL12661885 0.77 PARP1 (0.53) MEN1KMT2ATRPV1TSHRALDH1A1

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 CLK2 381/4885CLK3 1037/4885DYRK1A 3654/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 CLK2 309/4885CLK3 716/4885DYRK1A 2852/4885

“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.

Send feedback