SCHEMBL25801299

SCHEMBL25801299

CS(=O)(=O)CC1CN(c2nccc(I)c2Cl)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMO Q99835 5/20 0.37
EGFR P00533 1/20 0.33
HSD11B1 P28845 1/20 0.33
CHI3L1 P36222 1/20 0.32
CHIT1 Q13231 1/20 0.32
CHI3L2 Q15782 1/20 0.32
CHIA Q9BZP6 1/20 0.32
KHK P50053 2/20 0.31
EIF2AK4 Q9P2K8 1/20 0.31
SYK P43405 1/20 0.31
PTPN11 Q06124 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
SCHEMBL25801295 0.84 SMO (0.37) SMOEGFRHSD11B1CHI3L1CHIT1
SCHEMBL24151872 0.80 PDE10A (0.38)
SCHEMBL24151050 0.79 PDE10A (0.30)
SCHEMBL25801285 0.78 CHRM4 (0.37) EGFR
SCHEMBL24151011 0.76 JAK2 (0.35)
SCHEMBL24151698 0.75 FFAR1 (0.34)
SCHEMBL30606276 0.75 HRH4 (0.52) SMO
SCHEMBL21855979 0.75 PDE10A (0.44)
SCHEMBL21855976 0.75 PDE10A (0.44)
SCHEMBL23084112 0.74 PDE10A (0.34)

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-20230212180-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-07-06 US disclosed
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 SMO 287/4885EGFR 883/4885HSD11B1 1042/4885

“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.