SCHEMBL23711745

SCHEMBL23711745

Cc1cccc(-n2ncc3ccc(NCCN)cc32)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 5/20 0.55
▸ MAPK10 P53779 3/20 0.46
▸ MAPK8 P45983 2/20 0.46
▸ PIM1 P11309 1/20 0.43
▸ PIM2 Q9P1W9 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ SMO Q99835 1/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ HTT P42858 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL31279872 1.00 KHK (0.55) KHKMAPK10MAPK8PIM1PIM2
SCHEMBL24543230 0.83 KHK (0.64) KHKMAPK10MAPK8SMOALDH1A1
SCHEMBL24543167 0.80 KHK (0.61) KHKMAPK10MAPK8SMONPC1
SCHEMBL22567077 0.80 KHK (0.64) KHKKMT2ASMONR3C1NPC1
SCHEMBL29677085 0.79 KHK (0.60) KHKMAPK10MAPK8KMT2ASMO
SCHEMBL22567233 0.79 KHK (0.60) KHKMAPK10MAPK8KMT2ASMO
SCHEMBL21791907 0.78 KHK (0.67) KHKMAPK10MAPK8KMT2ASMO
SCHEMBL24543401 0.78 KHK (0.61) KHKMAPK10MAPK8KMT2ASMO
SCHEMBL24542821 0.78 KHK (0.61) KHKMAPK10MAPK8KMT2ASMO
Hydrochloric Acid SCHEMBL22559662 0.78 KHK (0.59) KHKMAPK10MAPK8KMT2ASMO

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 1/4885MAPK10 723/4885MAPK8 923/4885
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases KHK, GCK, HK1 KHK 1/4885MAPK10 1655/4885MAPK8 719/4885

“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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