SCHEMBL23711755

SCHEMBL23711755

O=C(NC1CCNCC1)c1ccc2cnn(-c3ccc(C4CC4)cc3)c2c1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 6/20 0.79
▸ SMYD3 Q9H7B4 6/20 0.44
▸ HPGDS O60760 2/20 0.44
▸ ACSS2 Q9NR19 1/20 0.42
▸ MAPK14 Q16539 1/20 0.41
▸ RIPK2 O43353 2/20 0.40
▸ TP53 P04637 1/20 0.39
▸ PTGER3 P43115 1/20 0.39

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
SCHEMBL31279847 1.00 KHK (0.79) KHKSMYD3HPGDSACSS2MAPK14
SCHEMBL31279611 0.89 KHK (1.00) KHKSMYD3HPGDSACSS2MAPK14
SCHEMBL23711737 0.89 KHK (1.00) KHKSMYD3HPGDSACSS2MAPK14
SCHEMBL31279587 0.82 KHK (1.00) KHKHPGDSACSS2MAPK14TP53
SCHEMBL23711756 0.82 KHK (1.00) KHKHPGDSACSS2MAPK14TP53
SCHEMBL23711723 0.78 KHK (1.00) KHKHPGDSACSS2MAPK14
SCHEMBL31279982 0.78 KHK (1.00) KHKHPGDSACSS2MAPK14
Tert-Butyl Formate SCHEMBL28787428 0.73 KHK (0.63) KHKHPGDSACSS2MAPK14
SCHEMBL4175744 0.72 RAB9A (0.53) SMYD3
SCHEMBL23711773 0.71 KHK (1.00) KHKHPGDSMAPK14TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 1/4885SMYD3 832/4885HPGDS 3068/4885
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases KHK, GCK, HK1 KHK 1/4885SMYD3 2344/4885HPGDS 1377/4885

“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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