SCHEMBL23711766

SCHEMBL23711766

Cc1cccc(-n2ncc3ccc(C4CCNCC4)cc32)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 9/20 0.62
▸ HTR2C P28335 3/20 0.53
▸ PIM1 P11309 2/20 0.43
▸ PIM3 Q86V86 2/20 0.43
▸ PIM2 Q9P1W9 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ SOS1 Q07889 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PAX8 Q06710 1/20 0.38

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
SCHEMBL31279404 1.00 KHK (0.62) KHKHTR2CPIM1PIM3PIM2
SCHEMBL31278857 0.81 KHK (0.67) KHKPIM1PIM3PIM2LMNA
SCHEMBL23711768 0.81 KHK (0.67) KHKPIM1PIM3PIM2LMNA
SCHEMBL23711751 0.79 ADRB1 (0.63) KHKPIM1PIM3PIM2ADRB1
SCHEMBL31278709 0.79 ADRB1 (0.63) KHKPIM1PIM3PIM2ADRB1
SCHEMBL22567077 0.78 KHK (0.64) KHKALDH1A1NPC1RAB9APAX8
SCHEMBL23711756 0.77 KHK (1.00) KHKLMNANPC1RAB9A
SCHEMBL31279587 0.77 KHK (1.00) KHKLMNANPC1RAB9A
SCHEMBL23711746 0.76 KHK (0.61) KHKLMNAADRB1ALDH1A1
SCHEMBL31279608 0.76 KHK (0.61) KHKLMNAADRB1ALDH1A1

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 1/4885HTR2C 1803/4885PIM1 1235/4885
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases KHK, GCK, HK1 KHK 1/4885HTR2C 1132/4885PIM1 1356/4885

“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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