SCHEMBL19089467

SCHEMBL19089467

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-n2ccc3c(OC)cccc32)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.44
EGFR P00533 6/20 0.41
ROCK1 Q13464 3/20 0.40
MAPK8 P45983 5/20 0.39
MAPK9 P45984 5/20 0.39
MAPK10 P53779 5/20 0.39
FLT1 P17948 2/20 0.38
FLT4 P35916 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PTK2 Q05397 1/20 0.38

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
SCHEMBL19089686 0.92 MAPK8 (0.43) KDREGFRROCK1MAPK8MAPK9
SCHEMBL19089682 0.91 ROCK1 (0.51) KDREGFRROCK1MAPK8MAPK9
Phenylmethanesulfonic Acid SCHEMBL35210294 0.90 KDR (0.42) KDREGFRROCK1MAPK8MAPK9
SCHEMBL19337070 0.90 EGFR (0.43) KDREGFRROCK1PTK2
SCHEMBL20637691 0.90 KDR (0.41) KDREGFRROCK1MAPK8MAPK9
SCHEMBL30930115 0.90 KDR (0.43) KDREGFRROCK1MAPK8MAPK9
SCHEMBL18586191 0.90 KDR (0.43) KDREGFRROCK1MAPK8MAPK9
SCHEMBL19089534 0.87 CDC7 (0.44) KDREGFRROCK1PTK2
SCHEMBL35210303 0.87 CDC7 (0.44) KDREGFRROCK1PTK2
SCHEMBL30467909 0.85 EGFR (0.54) KDREGFR

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-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-07-09 US disclosed
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-01-17 US disclosed
WO-2017114500-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF IN PHARMACY 恩瑞生物医药科技(上海)有限公司 2017-07-06 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 (2 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-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy EGFR, ABL1, CSNK1A1 KDR 1299/4885EGFR 1/4885ROCK1 1838/4885
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY EGFR, ABL1, CSNK1A1 KDR 1299/4885EGFR 1/4885ROCK1 1838/4885

“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.