SCHEMBL24956354

SCHEMBL24956354

CCc1cnc(C(=O)NC2CC2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 10/20 0.51
▸ MCHR1 Q99705 1/20 0.47
▸ ABL1 P00519 2/20 0.46
▸ HPGD P15428 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ DPP4 P27487 1/20 0.41
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ ALDH1A1 P00352 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
SCHEMBL24960108 0.94 ABL1 (0.48) SMYD3MCHR1ABL1NPC1RAB9A
SCHEMBL24960094 0.80 NPC1 (0.48) SMYD3ABL1HPGDNPC1RAB9A
SCHEMBL24958916 0.77 ABL1 (0.53) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL24956358 0.75 NPC1 (0.56) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL24956359 0.75 NPC1 (0.52) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL24958860 0.75 ABL1 (0.45) SMYD3ABL1HPGDNPC1RAB9A
SCHEMBL24958859 0.74 GAA (0.49) SMYD3ABL1HPGDNPC1RAB9A
SCHEMBL9908373 0.74 SMYD3 (0.56) SMYD3NPC1RAB9ASMN1; SMN2MAPK14
SCHEMBL25912472 0.74 DPP4 (0.47) SMYD3MCHR1ABL1NPC1RAB9A
SCHEMBL24959359 0.73 SIRT6 (0.40) —

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-20230021705-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-01-26 — — 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-20230021705-A1 GLP-1R MODULATING COMPOUNDS GLP1R, GIPR, GPR119 SMYD3 3180/4885MCHR1 445/4885ABL1 4100/4885

“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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