SCHEMBL22567152

SCHEMBL22567152

Cc1cccc(-n2ncc3c(F)cc(NC(=O)[C@@H](N)CO)cc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 2/20 0.42
▸ MAPK10 P53779 3/20 0.42
▸ MAPK8 P45983 2/20 0.42
▸ SMO Q99835 1/20 0.41
▸ NPC1 O15118 6/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 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 SCHEMBL29369208 0.99 KHK (0.42) KHKMAPK10MAPK8SMONPC1
Hydrochloric Acid SCHEMBL22559617 0.99 KHK (0.42) KHKMAPK10MAPK8SMONPC1
Hydrochloric Acid SCHEMBL22559620 0.99 KHK (0.42) KHKMAPK10MAPK8SMONPC1
SCHEMBL22559640 0.87 KHK (0.41) KHKMAPK10MAPK8SMONPC1
SCHEMBL28683954 0.86 KHK (0.40) KHKMAPK10MAPK8SMONPC1
SCHEMBL28683956 0.86 KHK (0.40) KHKMAPK10MAPK8SMONPC1
SCHEMBL24543182 0.83 KHK (0.61) KHKMAPK10MAPK8SMONPC1
SCHEMBL24542819 0.83 KHK (0.44) KHKMAPK10MAPK8SMONPC1
SCHEMBL22567131 0.83 KHK (0.61) KHKMAPK10MAPK8SMONPC1
SCHEMBL22567276 0.83 KHK (0.61) KHKMAPK10MAPK8SMONPC1

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-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
WO-2020215022-A1 NOVEL COMPOUNDS AND METHODS OF USE TREATING FRUCTOSE-RELATED DISORDERS OR DISEASES COLORADO RESEARCH PARTNERS, LLC (US) 2020-10-22 — — WO 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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