SCHEMBL23711736

SCHEMBL23711736

CNCC(=O)N1CCN(c2ccc3cnn(-c4cccc(C)c4)c3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 5/20 0.49
▸ P2RY12 Q9H244 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ CCR1 P32246 1/20 0.42
▸ MET P08581 1/20 0.42
▸ SMO Q99835 1/20 0.42
▸ MAP4K1 Q92918 1/20 0.41
▸ IGF1R P08069 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ P2RX7 Q99572 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
SCHEMBL31279546 1.00 KHK (0.49) KHKP2RY12KMT2ACA12CA1
SCHEMBL23711719 0.88 KHK (0.48) KHKP2RY12CA12CA1CA2
SCHEMBL31280556 0.88 KHK (0.48) KHKP2RY12CA12CA1CA2
SCHEMBL23734200 0.80 GPR119 (0.59) KHKKMT2AMAPTLMNA
SCHEMBL31279608 0.80 KHK (0.61) KHKMAPTLMNA
SCHEMBL23711746 0.80 KHK (0.61) KHKMAPTLMNA
SCHEMBL31278709 0.77 ADRB1 (0.63) KHKMAPTMAP4K1
SCHEMBL23711751 0.77 ADRB1 (0.63) KHKMAPTMAP4K1
SCHEMBL23734198 0.75 GPR119 (0.59) KHKKMT2AMAPTLMNA
SCHEMBL23711778 0.75 KHK (0.52) KHKMAPTMAP4K1

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 1/4885P2RY12 4293/4885KMT2A 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 1/4885P2RY12 3905/4885KMT2A 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.

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