SCHEMBL23711719

SCHEMBL23711719

Cc1cccc(-n2ncc3ccc(N4CCN(C(=O)CN)CC4)cc32)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 5/20 0.48
▸ CCR1 P32246 1/20 0.43
▸ MAP4K1 Q92918 2/20 0.43
▸ P2RY12 Q9H244 1/20 0.42
▸ C1S P09871 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ DHFR P00374 1/20 0.41
▸ SMO Q99835 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
SCHEMBL31280556 1.00 KHK (0.48) KHKCCR1MAP4K1P2RY12C1S
SCHEMBL23711736 0.88 KHK (0.49) KHKCCR1MAP4K1P2RY12CA12
SCHEMBL31279546 0.88 KHK (0.49) KHKCCR1MAP4K1P2RY12CA12
SCHEMBL23734200 0.82 GPR119 (0.59) KHKMAPTLMNA
SCHEMBL31279608 0.81 KHK (0.61) KHKMAPTLMNAALDH1A1
SCHEMBL23711746 0.81 KHK (0.61) KHKMAPTLMNAALDH1A1
SCHEMBL31280064 0.78 KHK (0.52) KHKMAP4K1C1SMAPTALDH1A1
SCHEMBL23711778 0.78 KHK (0.52) KHKMAP4K1C1SMAPTALDH1A1
SCHEMBL23711751 0.78 ADRB1 (0.63) KHKMAP4K1MAPTALDH1A1RAB9A
SCHEMBL31278709 0.78 ADRB1 (0.63) KHKMAP4K1MAPTALDH1A1RAB9A

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 1/4885CCR1 1784/4885MAP4K1 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 1/4885CCR1 3944/4885MAP4K1 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.

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