SCHEMBL544933

SCHEMBL544933

O=C(Nc1nc2ccc(O)cc2s1)NC1CC1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.65
MAOB P27338 3/20 0.65
MAOA P21397 1/20 0.65
LCK P06239 3/20 0.64
DYRK1B Q9Y463 2/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
MAPT P10636 2/20 0.63
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
KMT2A Q03164 1/20 0.62
RELA Q04206 1/20 0.62
SNCA P37840 2/20 0.60
PKM P14618 1/20 0.59
HSD17B1 P14061 3/20 0.59
HSD17B10 Q99714 1/20 0.57
HSD17B2 P37059 2/20 0.56

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
SCHEMBL1259648 0.82 MAOA (0.87) DYRK1AMAOBMAOALCKDYRK1B
SCHEMBL19957154 0.80 MAOB (0.59) DYRK1AMAOBMAOADYRK1BSNCA
SCHEMBL6057491 0.79 LCK (1.00) LCK
SCHEMBL6058142 0.79 LCK (1.00) LCK
SCHEMBL544349 0.79 DYRK1A (0.75) DYRK1AMAOBMAOADYRK1BHSD17B1
SCHEMBL10170616 0.77 DYRK1A (1.00) DYRK1ADYRK1BNPC1RAB9AHSD17B1
SCHEMBL27717411 0.77 DYRK1A (0.73) DYRK1AMAOBMAOADYRK1BHSD17B1
SCHEMBL11724806 0.77 DYRK1A (1.00) DYRK1ALCKDYRK1BNPC1RAB9A
SCHEMBL22905 0.76 DYRK1A (1.00) DYRK1ADYRK1BNPC1RAB9AMAPT
SCHEMBL6058106 0.76 LCK (0.93) LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110571-B2 Tyrosine kinase inhibitors; antiproliferation agents; metabolism diseases; antiallergens; central nervous system disorders; vision and skin disorders; antiarthritic agents AVENTIS PHARMA S.A. (FR) 2012-02-07 US disclosed
CN-101273019-A Novel benzimidazole and benzothiazole derivatives, method for preparing same, use thereof as drugs, pharmaceutical compositions and novel use especially as C-Met inhibitors AVENTIS PHARMA SA (FR) 2008-09-24 CN disclosed
US-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors AVENTIS PHARMA S.A. (FR) 2008-08-14 US disclosed
EP-1934187-A1 NOVEL BENZIMIDAZOLE AND BENZOTHIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS C-MET INHIBITORS Aventis Pharma S.A. (FR) 2008-06-25 EP disclosed
WO-2007036630-A1 NOVEL BENZIMIDAZOLE AND BENZOTHIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS C-MET INHIBITORS AVENTIS PHARMA S.A. (FR) 2007-04-05 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 (1 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-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors MET, KIT, MERTK DYRK1A 3467/4885MAOB 406/4885MAOA 1215/4885

“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.