SCHEMBL23711752

SCHEMBL23711752

Cc1cccc(-n2ncc3ccc(-c4ccc(N5CCNCC5)cc4)cc32)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 9/20 0.58
▸ ADRB1 P08588 1/20 0.54
▸ MAP4K1 Q92918 1/20 0.50
▸ PIM1 P11309 1/20 0.49
▸ PIM3 Q86V86 1/20 0.49
▸ PIM2 Q9P1W9 1/20 0.49
▸ IRAK4 Q9NWZ3 3/20 0.46
▸ NR3C1 P04150 1/20 0.46
▸ HTR7 P34969 3/20 0.45
▸ MAPT P10636 1/20 0.44
▸ HTR1A P08908 2/20 0.44

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
SCHEMBL31279507 1.00 KHK (0.58) KHKADRB1MAP4K1PIM1PIM3
SCHEMBL23711751 0.91 ADRB1 (0.63) KHKADRB1MAP4K1PIM1PIM3
SCHEMBL31278709 0.91 ADRB1 (0.63) KHKADRB1MAP4K1PIM1PIM3
SCHEMBL31279811 0.87 ADRB1 (0.58) KHKADRB1PIM1PIM3PIM2
SCHEMBL23711728 0.87 ADRB1 (0.58) KHKADRB1PIM1PIM3PIM2
SCHEMBL23711767 0.83 KHK (0.51) KHKADRB1MAP4K1PIM1PIM3
SCHEMBL31279859 0.83 KHK (0.51) KHKADRB1MAP4K1PIM1PIM3
SCHEMBL23711741 0.81 KHK (0.56) KHKPIM1PIM3PIM2IRAK4
SCHEMBL31278861 0.81 KHK (0.56) KHKPIM1PIM3PIM2IRAK4
SCHEMBL23711742 0.80 KHK (0.74) 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 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 1/4885ADRB1 1194/4885MAP4K1 74/4885
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases KHK, GCK, HK1 KHK 1/4885ADRB1 487/4885MAP4K1 47/4885

“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