SCHEMBL20500068

SCHEMBL20500068

Cc1cccc(-n2ncc3ccc(NC(=O)C4CNC4)cc32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 11/20 1.00
▸ MAPK10 P53779 2/20 0.47
▸ HTR6 P50406 4/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ HTR7 P34969 2/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ MAPK8 P45983 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SMO Q99835 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ KCNH2 Q12809 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
SCHEMBL31279542 1.00 KHK (1.00) KHKMAPK10HTR6HTR1AHTR7
SCHEMBL23734143 0.88 KHK (0.79) KHKHTR6HTR1AHTR7HTR2B
SCHEMBL24543172 0.87 KHK (0.77) KHKMAPK10HTR6HTR1AHTR7
Hydrochloric Acid SCHEMBL29677417 0.86 KHK (0.75) KHKMAPK10HTR6HTR1AHTR7
SCHEMBL21791906 0.85 KHK (1.00) KHKMAPK10HTR6HTR1AHTR7
SCHEMBL24543229 0.82 KHK (0.71) KHKMAPK10HTR6HTR1AHTR7
SCHEMBL24543239 0.82 KHK (0.79) KHKMAPK10HTR6HTR1AHTR7
Hydrochloric Acid SCHEMBL29677211 0.81 KHK (0.70) KHKMAPK10HTR6HTR1AHTR7
Hydrochloric Acid SCHEMBL29677303 0.81 KHK (0.78) KHKMAPK10HTR6HTR1AHTR7
SCHEMBL21791907 0.80 KHK (0.67) KHKMAPK10HTR6MAPK8NPSR1

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-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-08-10 — — US claimed
WO-2018170517-A1 INDAZOLE INHIBITORS OF FRUCTOKINASE (KHK) AND METHODS OF USE IN TREATING KHK-MEDIATED DISORDERS OR DISEASES REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-09-20 — — WO claimed
US-20210275494-A1 METHODS FOR FRUCTOKINASE MEDIATION OF ALCOHOL CRAVING AND ALCOHOL INDUCED LIVER DISEASE THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2021-09-09 — — US disclosed
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-08-10 — — US disclosed
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-08-10 — — 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 (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-20210275494-A1 METHODS FOR FRUCTOKINASE MEDIATION OF ALCOHOL CRAVING AND ALCOHOL INDUCED LIVER DISEASE KHK, GCK, FN3K KHK 1/4885MAPK10 723/4885HTR6 1526/4885
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases KHK, GCK, HK1 KHK 1/4885MAPK10 1655/4885HTR6 1616/4885

“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.

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