SCHEMBL12946014

SCHEMBL12946014

O=Cc1csc(-c2cn[nH]c2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.41
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
CDC7 O00311 4/20 0.35
DBF4 Q9UBU7 4/20 0.35
ROCK1 Q13464 2/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
GPR35 Q9HC97 1/20 0.34
MYLK4 Q86YV6 1/20 0.33
PLK1 P53350 1/20 0.31
ACVR1 Q04771 1/20 0.31
ILK Q13418 2/20 0.30
KCNH2 Q12809 1/20 0.30
GRM4 Q14833 1/20 0.30

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
SCHEMBL939164 0.72 GPR35 (0.45) DYRK1ADYRK1BAKT1AKT2ROCK1
SCHEMBL28755646 0.72 ERN1 (0.40) ERN1DYRK1ADYRK1BCDC7DBF4
SCHEMBL16638963 0.71 DYRK1A (0.42) ERN1DYRK1ADYRK1BAKT1AKT2
SCHEMBL27605051 0.70 DYRK1A (0.62) ERN1DYRK1ADYRK1B
SCHEMBL24226877 0.69 AKT2 (0.55) ERN1AKT1AKT2ROCK1MYLK4
SCHEMBL723278 0.69 ALDH1A1 (0.44) DYRK1ADYRK1B
SCHEMBL940221 0.69 DYRK1A (0.43) ERN1DYRK1ADYRK1BROCK1GPR35
Hydrochloric Acid SCHEMBL22042397 0.68 AKT2 (0.53) ERN1AKT1AKT2ROCK1MYLK4
SCHEMBL24345956 0.68 AKT1 (0.53) ERN1DYRK1ADYRK1BAKT1AKT2
SCHEMBL24345957 0.68 AKT1 (0.53) ERN1DYRK1ADYRK1BAKT1AKT2

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
CN-113980001-B Pyrazolol-pyridazinone coupling compound, pharmaceutical composition thereof and application of pyrazolol-pyridazinone coupling compound in medicines 贵州医科大学 2024-01-30 CN disclosed
CN-113980001-A Pyrazole alcohol-pyridazinone coupling compound, pharmaceutical composition thereof and application thereof in medicines 贵州医科大学 2022-01-28 CN disclosed
CN-102947295-A 3,3-disubstituted-(8-aza-bicyclo [3.2.1]oct-8-y)-[5-(1 -pyrazol-4-yl)-thiophe-3-yl] methanones as inhibitors of 11[beta]-HSD1 UNIV EDINBURGH 2013-02-27 CN disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US 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-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 ERN1 1272/4885DYRK1A 3405/4885DYRK1B 3449/4885

“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.