SCHEMBL544349

SCHEMBL544349

O=C(O)Nc1nc2ccc(O)cc2s1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.75
DYRK1B Q9Y463 2/20 0.70
HSD17B1 P14061 8/20 0.69
HSD17B2 P37059 7/20 0.66
MAOA P21397 1/20 0.64
MAOB P27338 1/20 0.64
DYRK2 Q92630 1/20 0.61
HSD17B10 Q99714 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2B6 P20813 1/20 0.59
CYP2C19 P33261 1/20 0.59
SCD O00767 1/20 0.58

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
SCHEMBL27717411 0.86 DYRK1A (0.73) DYRK1ADYRK1BHSD17B1HSD17B2MAOA
SCHEMBL10170616 0.86 DYRK1A (1.00) DYRK1ADYRK1BHSD17B1HSD17B2CYP3A4
SCHEMBL2764027 0.84 DYRK1A (0.57) DYRK1ADYRK1BHSD17B1CYP3A4CYP2C9
SCHEMBL29788 0.84 HSD17B1 (0.82) DYRK1ADYRK1BHSD17B1HSD17B2SCD
SCHEMBL31024 0.83 HSD17B1 (0.82) DYRK1ADYRK1BHSD17B1HSD17B2CYP3A4
SCHEMBL11724806 0.83 DYRK1A (1.00) DYRK1ADYRK1BHSD17B1HSD17B2HSD17B10
SCHEMBL16554035 0.83 HSD17B1 (0.76) DYRK1ADYRK1BHSD17B1HSD17B2HSD17B10
SCHEMBL3708649 0.83 RAB9A (0.76) DYRK1ACYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL3787846 0.83 DYRK1A (0.76) DYRK1ACYP2C9CYP2C19
SCHEMBL14539566 0.82 DYRK1A (0.72) DYRK1ADYRK1BHSD17B1HSD17B2MAOA

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
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
WO-2010066357-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO 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 3467/4885DYRK1B 2511/4885HSD17B1 3122/4885

“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.