SCHEMBL24925836

SCHEMBL24925836

C[C@H](CO)c1cccc(C#N)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.38
SOS2 Q07890 1/20 0.38
CTSK P43235 2/20 0.36
IDH1 O75874 1/20 0.36
CTSS P25774 2/20 0.34
HSD11B1 P28845 3/20 0.33
KDM5A P29375 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL12692334 0.84 CTSS (0.37) SOS2CTSKIDH1CTSSHSD11B1
SCHEMBL9921704 0.83 IDH1 (0.36) SOS2CTSKIDH1CTSSHSD11B1
SCHEMBL18602323 0.83 IDH1 (0.36) SOS2CTSKIDH1CTSSHSD11B1
Hydrochloric Acid SCHEMBL1111090 0.81 TAAR1 (0.36) SOS2CTSKIDH1CTSSHSD11B1
SCHEMBL179277 0.80 HSD11B1 (0.41) SOS2CTSKIDH1CTSSHSD11B1
SCHEMBL20738600 0.79 SCN9A (0.38) SCN9ASOS2CTSKCTSS
SCHEMBL18793681 0.79 SCN9A (0.38) SCN9ASOS2CTSKCTSS
SCHEMBL20738618 0.77 IDH1 (0.38) SOS2CTSKIDH1CTSSHSD11B1
SCHEMBL20989227 0.77 IDH1 (0.38) SOS2CTSKIDH1CTSSHSD11B1
SCHEMBL22230336 0.77 CTSK (0.39) SOS2CTSKIDH1CTSSADORA2A

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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 SCN9A 1935/4885SOS2 2440/4885CTSK 3049/4885

“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.