SCHEMBL21791907

SCHEMBL21791907

Cc1cccc(-n2ncc3ccc(NCC4CNC4)cc32)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 8/20 0.67
▸ MAPK1 P28482 2/20 0.43
▸ HTR6 P50406 1/20 0.41
▸ SMO Q99835 1/20 0.41
▸ MAPK10 P53779 2/20 0.38
▸ MAPK8 P45983 1/20 0.37
▸ NPC1 O15118 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CASP3 P42574 1/20 0.36

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
SCHEMBL20500068 0.80 KHK (1.00) KHKHTR6SMOMAPK10MAPK8
SCHEMBL31279542 0.80 KHK (1.00) KHKHTR6SMOMAPK10MAPK8
SCHEMBL23711745 0.78 KHK (0.55) KHKSMOMAPK10MAPK8NPC1
SCHEMBL31279872 0.78 KHK (0.55) KHKSMOMAPK10MAPK8NPC1
SCHEMBL23711768 0.78 KHK (0.67) KHKMAPK1HTR6NPC1RAB9A
SCHEMBL31278857 0.78 KHK (0.67) KHKMAPK1HTR6NPC1RAB9A
SCHEMBL31279154 0.76 KHK (0.58) KHKMAPK1SMOMAPK10MAPK8
SCHEMBL23711740 0.76 KHK (0.58) KHKMAPK1SMOMAPK10MAPK8
SCHEMBL23906555 0.75 MAPT (0.55) KHKNPC1RAB9AMAPTALDH1A1
SCHEMBL22567077 0.75 KHK (0.64) KHKSMONPC1RAB9APAX8

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 3 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-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
WO-2020046481-A2 METHODS FOR FRUCTOKINASE MEDIATION OF ALCOHOL CRAVING AND ALCOHOL INDUCED LIVER DISEASE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-03-05 — — WO 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 1/4885MAPK1 560/4885HTR6 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 1/4885MAPK1 981/4885HTR6 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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