SCHEMBL24543172

SCHEMBL24543172

Cc1cccc(-n2ncc3ccc(NC(=O)[C@H]4C[C@@H](N)C4)cc32)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 5/20 0.77
▸ MAPK10 P53779 3/20 0.46
▸ MAPK8 P45983 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ SMO Q99835 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39

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
Hydrochloric Acid SCHEMBL29677417 0.99 KHK (0.75) KHKMAPK10MAPK8NPSR1USP2
SCHEMBL24543229 0.87 KHK (0.71) KHKMAPK10MAPK8NPSR1USP2
SCHEMBL31279542 0.87 KHK (1.00) KHKMAPK10MAPK8NPSR1USP2
SCHEMBL20500068 0.87 KHK (1.00) KHKMAPK10MAPK8NPSR1USP2
Hydrochloric Acid SCHEMBL29677211 0.86 KHK (0.70) KHKMAPK10MAPK8NPSR1USP2
SCHEMBL21791906 0.82 KHK (1.00) KHKMAPK10MAPK8NPSR1HTR1A
SCHEMBL24543230 0.79 KHK (0.64) KHKMAPK10MAPK8HTR6SMO
SCHEMBL24543392 0.79 KHK (0.64) KHKMAPK10MAPK8SMOTP53
SCHEMBL24543239 0.79 KHK (0.79) KHKMAPK10MAPK8HTR1AHTR7
SCHEMBL24543399 0.79 KHK (0.66) KHKMAPK10MAPK8SMOTP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220194939-A1 Novel compounds and methods of use treating fructose-related disorders or diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-23 — — 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 (1 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-20220194939-A1 Novel compounds and methods of use treating fructose-related disorders or diseases GCK, KHK, HK1 KHK 2/4885MAPK10 728/4885MAPK8 854/4885

“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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