SCHEMBL23711742

SCHEMBL23711742

Cc1cccc(-n2ncc3ccc(-c4ccncc4)cc32)c1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 6/20 0.74
▸ NR3C1 P04150 1/20 0.49
▸ IRAK4 Q9NWZ3 11/20 0.48
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.43

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
SCHEMBL31280008 1.00 KHK (0.74) KHKNR3C1IRAK4KDM4EALDH1A1
SCHEMBL31279526 0.85 KHK (1.00) KHKNR3C1IRAK4KDM4ELRRK2
SCHEMBL23711780 0.85 KHK (1.00) KHKNR3C1IRAK4KDM4ELRRK2
SCHEMBL22567077 0.83 KHK (0.64) KHKNR3C1IRAK4KDM4EALDH1A1
SCHEMBL23711713 0.82 KHK (0.74) KHKNR3C1IRAK4KDM4E
SCHEMBL31279805 0.82 KHK (0.74) KHKNR3C1IRAK4KDM4E
SCHEMBL23711726 0.81 KHK (0.77) KHKNR3C1IRAK4KDM4E
SCHEMBL31279295 0.81 KHK (0.77) KHKNR3C1IRAK4KDM4E
SCHEMBL23711752 0.80 KHK (0.58) KHKNR3C1IRAK4
SCHEMBL31279507 0.80 KHK (0.58) KHKNR3C1IRAK4

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 1/4885NR3C1 2720/4885IRAK4 563/4885
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases KHK, GCK, HK1 KHK 1/4885NR3C1 1598/4885IRAK4 691/4885

“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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