SCHEMBL10658

SCHEMBL10658

O=Cc1ccc(-c2ccc3[nH]ncc3c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.65
CLK1 P49759 2/20 0.65
DYRK3 O43781 1/20 0.65
CLK2 P49760 1/20 0.65
CLK3 P49761 1/20 0.65
CDK5 Q00535 1/20 0.65
DYRK1A Q13627 1/20 0.65
CDK5R1 Q15078 1/20 0.65
DYRK2 Q92630 1/20 0.65
CLK4 Q9HAZ1 1/20 0.65
DYRK1B Q9Y463 1/20 0.65
ROCK2 O75116 4/20 0.51
PIM1 P11309 3/20 0.51
AURKB Q96GD4 3/20 0.51
JAK2 O60674 1/20 0.51
PAK4 O96013 1/20 0.51
KDR P35968 1/20 0.51
TRPA1 O75762 8/20 0.49
FGFR1 P11362 2/20 0.47
NOS1 P29475 3/20 0.47

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
SCHEMBL11295 0.87 FGFR1 (0.65) GSK3BCLK1DYRK3CLK2CLK3
SCHEMBL182465 0.86 NOS1 (0.53) GSK3BCLK1DYRK3CLK2CLK3
SCHEMBL29569257 0.86 NOS1 (0.53) GSK3BCLK1DYRK3CLK2CLK3
SCHEMBL12633807 0.80 NOS1 (0.44) GSK3BCLK1DYRK3CLK2CLK3
SCHEMBL2455100 0.79 GSK3B (1.00) GSK3BCLK1DYRK3CLK2CLK3
SCHEMBL16740690 0.77 NOS1 (0.72) GSK3BCLK1DYRK3CLK2CLK3
SCHEMBL27663173 0.77 FGFR1 (0.74) GSK3BCLK1DYRK3CLK2CLK3
SCHEMBL4791316 0.77 CLK1 (1.00) GSK3BCLK1DYRK3CLK2CLK3
SCHEMBL16573980 0.77 GSK3B (0.71) GSK3BCLK1DYRK3CLK2CLK3
SCHEMBL23063810 0.75 GSK3B (0.68) GSK3BCLK1DYRK3CLK2CLK3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230052747-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF TUMORS TES PHARMA S.R.L. (IT) 2023-02-16 US disclosed
US-20230052747-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF TUMORS TES PHARMA S.R.L. (IT) 2023-02-16 US disclosed
WO-2021116999-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF TUMORS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2021-06-17 WO disclosed
US-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-11-22 US disclosed
EP-2503890-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-10-03 EP disclosed
EP-2493310-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-09-05 EP disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2011066211-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-06-03 WO disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 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 (3 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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 GSK3B 1796/4885CLK1 2884/4885DYRK3 4262/4885
US-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, COASY GSK3B 2222/4885CLK1 4716/4885DYRK3 3348/4885
US-20230052747-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF TUMORS RAD51, BRCA1, FANCI GSK3B 970/4885CLK1 2750/4885DYRK3 3626/4885

“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.