SCHEMBL31279140

SCHEMBL31279140

Nc1cc(-c2ccc3cnn(-c4ccccc4)c3c2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 3/20 1.00
▸ IRAK4 Q9NWZ3 11/20 0.65
▸ GSK3B P49841 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ NR3C1 P04150 1/20 0.45
▸ LRRK2 Q5S007 3/20 0.43
▸ FFAR4 Q5NUL3 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
SCHEMBL20500059 1.00 KHK (1.00) KHKIRAK4GSK3BKCNH2DYRK1A
SCHEMBL23711780 0.86 KHK (1.00) KHKIRAK4NR3C1LRRK2
SCHEMBL31279526 0.86 KHK (1.00) KHKIRAK4NR3C1LRRK2
SCHEMBL23711761 0.81 KHK (0.67) KHKIRAK4LRRK2
SCHEMBL31278702 0.81 KHK (0.67) KHKIRAK4LRRK2
SCHEMBL17441414 0.79 IRAK4 (1.00) KHKIRAK4
SCHEMBL24851437 0.78 KHK (0.63) KHKNR3C1
SCHEMBL23711758 0.78 KHK (0.63) KHKIRAK4LRRK2FFAR4
SCHEMBL31279250 0.78 KHK (0.63) KHKIRAK4LRRK2FFAR4
SCHEMBL22126706 0.76 KHK (0.61) KHKIRAK4NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250177348-A1 Methods for Fructokinase Meditation of Alcohol Craving and Alcohol Induced Liver Disease THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2025-06-05 — — US disclosed
US-12161621-B2 Methods for fructokinase mediation of alcohol craving and alcohol induced liver disease THE REGENTS OF THE UNIVERSITY OF COLORADO 2024-12-10 — — 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-12161621-B2 Methods for fructokinase mediation of alcohol craving and alcohol induced liver disease KHK, GCK, FN3K KHK 1/4885IRAK4 557/4885GSK3B 835/4885
US-20250177348-A1 Methods for Fructokinase Meditation of Alcohol Craving and Alcohol Induced Liver Disease KHK, GCK, FN3K KHK 1/4885IRAK4 757/4885GSK3B 514/4885

“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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