SCHEMBL21791905

SCHEMBL21791905

Cc1cccc(-n2ncc3ccc(N(C)C(=O)C4CNC4)cc32)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 7/20 0.66
▸ SMO Q99835 1/20 0.41
▸ KMT2A Q03164 1/20 0.37
▸ MAPK10 P53779 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ INSR P06213 1/20 0.36
▸ ITK Q08881 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ ELANE P08246 1/20 0.35

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) KHKSMOMAPK10MAPK8
SCHEMBL31279542 0.80 KHK (1.00) KHKSMOMAPK10MAPK8
SCHEMBL23711773 0.76 KHK (1.00) KHKSMOMAPK10NPC1RAB9A
SCHEMBL31279149 0.76 KHK (1.00) KHKSMOMAPK10NPC1RAB9A
SCHEMBL22567077 0.73 KHK (0.64) KHKSMOKMT2ANPC1RAB9A
SCHEMBL21791907 0.72 KHK (0.67) KHKSMOKMT2AMAPK10NPC1
SCHEMBL31279608 0.71 KHK (0.61) KHKALDH1A1
SCHEMBL23711746 0.71 KHK (0.61) KHKALDH1A1
SCHEMBL23711756 0.70 KHK (1.00) KHKKMT2AMAPK10NPC1RAB9A
SCHEMBL31279587 0.70 KHK (1.00) KHKKMT2AMAPK10NPC1RAB9A

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 1/4885SMO 3951/4885KMT2A 799/4885
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases KHK, GCK, HK1 KHK 1/4885SMO 3730/4885KMT2A 1145/4885

“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.

Send feedback