SCHEMBL25801322

SCHEMBL25801322

CC(C)(C#N)C1CN(c2nccc(S)c2Cl)C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL24152320 0.85 KDM4E (0.30) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL25801239 0.82 PDCD1 (0.36)
SCHEMBL19785535 0.80 CHRM4 (0.37) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL24151005 0.77 JAK2 (0.35)
SCHEMBL21062752 0.75 PDE10A (0.37)
SCHEMBL25801194 0.73 PDE10A (0.38)
SCHEMBL20899099 0.72 PDE10A (0.37)
SCHEMBL25801267 0.72 SORD (0.32) KDM4EMAPT
SCHEMBL30787812 0.72 PDE10A (0.37)
SCHEMBL25801258 0.71 PDE10A (0.30)

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-20230212180-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-07-06 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-20230212180-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF PTPN5, PTPN1, PTPN2 KDM4E 1069/4885ALDH1A1 3073/4885GAA 960/4885

“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.