SCHEMBL23711740

SCHEMBL23711740

Cc1cccc(-n2ncc3ccc(NC4CC5(CNC5)C4)cc32)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 8/20 0.58
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPK10 P53779 2/20 0.37
▸ MAPK8 P45983 1/20 0.36
▸ SMO Q99835 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
SCHEMBL31279154 1.00 KHK (0.58) KHKLMNATP53NPC1RAB9A
SCHEMBL23711768 0.84 KHK (0.67) KHKLMNATP53NPC1RAB9A
SCHEMBL31278857 0.84 KHK (0.67) KHKLMNATP53NPC1RAB9A
SCHEMBL23711777 0.78 KHK (0.50) KHKTP53NPC1RAB9ASMN1; SMN2
SCHEMBL31280066 0.78 KHK (0.50) KHKTP53NPC1RAB9ASMN1; SMN2
SCHEMBL21791907 0.76 KHK (0.67) KHKLMNATP53NPC1RAB9A
SCHEMBL23711732 0.76 KHK (0.49) KHKNPC1RAB9AKMT2AMEN1
SCHEMBL31279652 0.76 KHK (0.49) KHKNPC1RAB9AKMT2AMEN1
SCHEMBL20500068 0.73 KHK (1.00) KHKNPSR1MAPK10MAPK8SMO
SCHEMBL31279542 0.73 KHK (1.00) KHKNPSR1MAPK10MAPK8SMO

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 1/4885LMNA 4641/4885TP53 4867/4885
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases KHK, GCK, HK1 KHK 1/4885LMNA 4468/4885TP53 3151/4885

“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