SCHEMBL19089534

SCHEMBL19089534

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-n2ccc3ccc(F)cc32)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.44
CDK2 P24941 2/20 0.44
ROCK1 Q13464 2/20 0.44
EGFR P00533 6/20 0.41
KDR P35968 3/20 0.40
PTK2 Q05397 4/20 0.38
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
MAPT P10636 1/20 0.35
MET P08581 1/20 0.34

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
SCHEMBL35210303 1.00 CDC7 (0.44) CDC7CDK2ROCK1EGFRKDR
SCHEMBL18586191 0.90 KDR (0.43) CDC7CDK2ROCK1EGFRKDR
SCHEMBL30930115 0.90 KDR (0.43) CDC7CDK2ROCK1EGFRKDR
SCHEMBL19089467 0.87 KDR (0.44) ROCK1EGFRKDRPTK2
SCHEMBL19714696 0.84 BRAF (0.45) CDC7CDK2EGFRKDRPTK2
SCHEMBL30869112 0.84 BRAF (0.45) CDC7CDK2EGFRKDRPTK2
SCHEMBL18386961 0.84 KDR (0.39) CDK2EGFRKDRPTK2CCNT1
SCHEMBL19337070 0.84 EGFR (0.43) ROCK1EGFRKDRPTK2CCNT1
SCHEMBL28973015 0.83 EGFR (0.38) EGFRKDRPTK2CCNT1CDK9
SCHEMBL30175537 0.83 EGFR (0.38) EGFRKDRPTK2CCNT1CDK9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3398939-B1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF IN PHARMACY ANCUREALL PHARMACEUTICAL SHANGHAI CO LTD (CN) 2026-05-06 EP disclosed
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
EP-3398939-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF IN PHARMACY Ancureall Pharmaceutical (Shanghai) Co., Ltd. (CN) 2018-11-07 EP 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 CDC7 1594/4885CDK2 647/4885ROCK1 1838/4885
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY EGFR, ABL1, CSNK1A1 CDC7 1594/4885CDK2 647/4885ROCK1 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.