SCHEMBL23711743

SCHEMBL23711743

CN(Cc1ccnc(N)c1)C(=O)c1ccc2cnn(-c3ccccc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 4/20 0.53
▸ BRPF1 P55201 2/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SPR P35270 1/20 0.40
▸ HPGD P15428 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MAPK14 Q16539 1/20 0.39
▸ SMO Q99835 2/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ RORC P51449 1/20 0.38
▸ PDE2A O00408 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL31280074 1.00 KHK (0.53) KHKBRPF1MEN1KMT2ASPR
SCHEMBL31279250 0.74 KHK (0.63) KHKIRAK4
SCHEMBL23711758 0.74 KHK (0.63) KHKIRAK4
SCHEMBL23734211 0.71 KHK (0.65) KHK
SCHEMBL31279140 0.71 KHK (1.00) KHKIRAK4
SCHEMBL20500059 0.71 KHK (1.00) KHKIRAK4
SCHEMBL23711764 0.69 KHK (0.58) KHK
SCHEMBL31279800 0.69 KHK (0.58) KHK
SCHEMBL23711761 0.68 KHK (0.67) KHKIRAK4
SCHEMBL31278702 0.68 KHK (0.67) KHKIRAK4

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 1/4885BRPF1 2501/4885MEN1 4398/4885
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases KHK, GCK, HK1 KHK 1/4885BRPF1 4607/4885MEN1 4037/4885

“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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