SCHEMBL12662483

SCHEMBL12662483

O=C(Nc1cccnc1)c1cncc2[nH]c(-c3ccc(F)cc3C(F)(F)F)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 1/20 0.51
▸ PTGES O14684 1/20 0.48
▸ GSK3B P49841 1/20 0.45
▸ CYP11B2 P19099 3/20 0.44
▸ CYP11B1 P15538 2/20 0.44
▸ SGMS2 Q8NHU3 3/20 0.44
▸ LRRK2 Q5S007 2/20 0.43
▸ SRPK3 Q9UPE1 1/20 0.43
▸ CSF1R P07333 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ RET P07949 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ ABL2 P42684 1/20 0.42
▸ BLK P51451 1/20 0.42
▸ LIMK1 P53667 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL12662421 0.93 CLK2 (0.51) CLK2PTGESGSK3BCYP11B2CYP11B1
SCHEMBL12662413 0.91 KCNMA1 (0.52) CLK2PTGESCYP11B2CYP11B1SGMS2
SCHEMBL12662388 0.89 PTGES (0.53) CLK2PTGESGSK3BCYP11B2CYP11B1
SCHEMBL12662484 0.86 FAAH (0.39) CLK2PTGESGSK3BCSF1RAURKA
SCHEMBL12662479 0.85 PARP1 (0.41) PTGESGSK3BCSF1RAURKACHEK2
SCHEMBL12673169 0.84 CLK2 (0.57) CLK2PTGESGSK3BCYP11B2CYP11B1
SCHEMBL12662477 0.83 PTGES (0.45) CLK2PTGESGSK3BCYP11B2CYP11B1
SCHEMBL1888343 0.82 MGAM (0.42) ALDH1A1LMNAHTTL3MBTL1
SCHEMBL12673330 0.82 KCNMA1 (0.52) CLK2PTGESCYP11B2CYP11B1SGMS2
SCHEMBL13551095 0.80 PARP1 (0.55) CLK2CHEK2AURKB

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 381/4885PTGES 1022/4885GSK3B 878/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 CLK2 309/4885PTGES 1594/4885GSK3B 1225/4885

“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