SCHEMBL23734143

SCHEMBL23734143

O=C(Nc1ccc2cnn(-c3ccccc3)c2c1)C1CNC1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 11/20 0.79
▸ HTR6 P50406 4/20 0.49
▸ HTR1A P08908 2/20 0.49
▸ HTR7 P34969 2/20 0.49
▸ HTR2B P41595 2/20 0.49
▸ HTR1B P28222 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ ULK1 O75385 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 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
SCHEMBL31279542 0.88 KHK (1.00) KHKHTR6HTR1AHTR7HTR2B
SCHEMBL20500068 0.88 KHK (1.00) KHKHTR6HTR1AHTR7HTR2B
SCHEMBL2563528 0.75 KHK (1.00) KHKKCNH2
SCHEMBL23711723 0.75 KHK (1.00) KHK
SCHEMBL31279982 0.75 KHK (1.00) KHK
SCHEMBL24543172 0.75 KHK (0.77) KHKHTR6HTR1AHTR7HTR2B
Hydrochloric Acid SCHEMBL2545458 0.75 KHK (0.98) KHKKCNH2
Hydrochloric Acid SCHEMBL29677417 0.74 KHK (0.75) KHKHTR6HTR1AHTR7HTR2B
SCHEMBL21791906 0.72 KHK (1.00) KHKHTR6HTR1AHTR7HTR2B
SCHEMBL2297677 0.71 HPGD (0.62) NPC1RAB9ASMN1; SMN2TP53POLB

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 2 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-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 1/4885HTR6 1526/4885HTR1A 3176/4885
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases KHK, GCK, HK1 KHK 1/4885HTR6 1616/4885HTR1A 1736/4885

“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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