SCHEMBL24543392

SCHEMBL24543392

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 5/20 0.64
▸ MAPK10 P53779 3/20 0.48
▸ MAPK8 P45983 2/20 0.47
▸ SMO Q99835 1/20 0.47
▸ TP53 P04637 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ROCK2 O75116 1/20 0.41
▸ PIM1 P11309 1/20 0.40

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 SCHEMBL29677233 0.99 KHK (0.63) KHKMAPK10MAPK8SMOTP53
Hydrochloric Acid SCHEMBL29677218 0.99 KHK (0.63) KHKMAPK10MAPK8SMOTP53
SCHEMBL24543146 0.92 KHK (0.62) KHKMAPK10MAPK8SMOTP53
Hydrochloric Acid SCHEMBL29677226 0.91 KHK (0.61) KHKMAPK10MAPK8SMOTP53
Hydrochloric Acid SCHEMBL22559616 0.91 KHK (0.61) KHKMAPK10MAPK8SMOTP53
Hydrochloric Acid SCHEMBL22559614 0.91 KHK (0.61) KHKMAPK10MAPK8SMOTP53
Hydrochloric Acid SCHEMBL29366046 0.91 KHK (0.61) KHKMAPK10MAPK8SMOTP53
SCHEMBL22567262 0.89 KHK (0.62) KHKMAPK10MAPK8SMOTP53
SCHEMBL22567092 0.89 KHK (0.62) KHKMAPK10MAPK8SMOTP53
SCHEMBL24543182 0.89 KHK (0.61) 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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