SCHEMBL19254873

SCHEMBL19254873

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-n2ncc3cc(C4CC4)ccc32)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.54
EGFR P00533 4/20 0.42
MAPK8 P45983 2/20 0.37
MAPK9 P45984 2/20 0.37
MAPK10 P53779 2/20 0.37
CCNT1 O60563 2/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
CDK9 P50750 2/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
MAP4K1 Q92918 3/20 0.34
ALK Q9UM73 3/20 0.34
CCR5 P51681 1/20 0.34
LRRK2 Q5S007 1/20 0.34
IDH1 O75874 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
TTK P33981 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
SCHEMBL30459859 0.89 KDR (0.57) KDREGFRMAPK8MAPK9MAPK10
SCHEMBL17683144 0.89 KDR (0.57) KDREGFRMAPK8MAPK9MAPK10
SCHEMBL30460247 0.87 KDR (0.54) KDREGFRMAPK8MAPK9MAPK10
SCHEMBL17683109 0.87 KDR (0.54) KDREGFRMAPK8MAPK9MAPK10
SCHEMBL17683116 0.86 EGFR (0.54) KDREGFR
SCHEMBL17683359 0.86 KDR (0.54) KDREGFRMAPK8MAPK9MAPK10
SCHEMBL30459722 0.86 KDR (0.54) KDREGFRMAPK8MAPK9MAPK10
SCHEMBL17683364 0.86 KDR (0.54) KDREGFRMAPK8MAPK9MAPK10
SCHEMBL17683292 0.82 MAPK8 (0.53) KDREGFRMAPK8MAPK9MAPK10
SCHEMBL17683373 0.79 KDR (0.39) KDREGFRMAPK8MAPK9MAPK10

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 3 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
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 KDR 80/4885EGFR 1/4885MAPK8 61/4885

“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.