SCHEMBL22436069

SCHEMBL22436069

CNc1c(C#N)cnc2c1ccn2S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.44
CYP2C19 P33261 1/20 0.44
MET P08581 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 1/20 0.38
LRRK2 Q5S007 2/20 0.37
FGFR4 P22455 1/20 0.37
HTR2A P28223 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
IMPDH2 P12268 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL22436175 0.85 JAK1 (0.39) HTR6CYP2C19DRD2DRD3LRRK2
SCHEMBL29713718 0.84 CYP2C19 (0.45) HTR6CYP2C19METDRD2DRD3
SCHEMBL16042354 0.84 CYP2C19 (0.45) HTR6CYP2C19METDRD2DRD3
SCHEMBL22436173 0.84 CYP2C19 (0.48) HTR6CYP2C19METDRD2DRD3
SCHEMBL22436169 0.83 HTR6 (0.45) HTR6CYP2C19METDRD2DRD3
SCHEMBL24509124 0.83 CYP2C19 (0.37) HTR6CYP2C19METDRD2DRD3
SCHEMBL29713736 0.83 CYP2C19 (0.37) HTR6CYP2C19METDRD2DRD3
SCHEMBL24509511 0.82 HTR6 (0.45) HTR6DRD2DRD3HTR2A
SCHEMBL24509488 0.81 HTR6 (0.46) HTR6DRD2DRD3HTR2A
SCHEMBL22435953 0.81 HTR6 (0.35) HTR6CYP2C19DRD2DRD3LRRK2

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-20220185816-A1 JAK KINASE INHIBITOR, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF IN FIELD OF MEDICINE SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO., LTD (CN) 2022-06-16 US disclosed
WO-2020182159-A1 JAK KINASE INHIBITOR, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF IN FIELD OF MEDICINE 上海华汇拓医药科技有限公司 2020-09-17 WO 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-20220185816-A1 JAK KINASE INHIBITOR, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF IN FIELD OF MEDICINE JAK1, JAK2, JAK3 HTR6 4345/4885CYP2C19 585/4885MET 666/4885

“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.