SCHEMBL19254498

SCHEMBL19254498

OCCn1cc(-c2ccnc(Cl)n2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.48
EGFR P00533 6/20 0.46
ASH1L Q9NR48 1/20 0.44
MKNK2 Q9HBH9 5/20 0.42
MKNK1 Q9BUB5 2/20 0.42
CDK2 P24941 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
DYRK1A Q13627 1/20 0.40
CNR2 P34972 1/20 0.39

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
SCHEMBL31278246 0.93 EGFR (0.49) GSK3BEGFRMKNK2MKNK1
SCHEMBL22585743 0.93 EGFR (0.49) GSK3BEGFRMKNK2MKNK1
SCHEMBL17822343 0.88 GSK3B (0.49) GSK3BEGFRMKNK2MKNK1CDK2
SCHEMBL30883818 0.88 GSK3B (0.49) GSK3BEGFRMKNK2MKNK1CDK2
SCHEMBL19532488 0.87 MKNK2 (0.54) GSK3BMKNK2MKNK1CDK2DYRK1B
SCHEMBL17542604 0.84 MKNK2 (0.53) GSK3BMKNK2MKNK1CDK2DYRK1B
SCHEMBL19103337 0.81 GSK3B (0.43) GSK3BEGFRMKNK2MKNK1CDK2
SCHEMBL19337064 0.81 GSK3B (0.43) GSK3BEGFRMKNK2MKNK1CDK2
SCHEMBL19337147 0.81 GSK3B (0.43) GSK3BMKNK2MKNK1CDK2DYRK1B
SCHEMBL29419125 0.80 MKNK1 (0.50) EGFRMKNK2MKNK1CDK2DYRK1A

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-20170313714-A1 EGFR INHIBITOR, PREPARATION METHOD AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2017-11-02 US disclosed
EP-3205650-A1 EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2017-08-16 EP 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-20170313714-A1 EGFR INHIBITOR, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 GSK3B 2196/4885EGFR 1/4885ASH1L 4233/4885

“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.