SCHEMBL20548944

SCHEMBL20548944

COc1cc(F)c([N+](=O)[O-])cc1Nc1cc(Nc2ccc(F)c(Cl)c2)ncn1.Cc1ccccc1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.43
TNNI3K Q59H18 4/20 0.42
CDK9 P50750 2/20 0.41
ERBB2 P04626 2/20 0.39
ERBB4 Q15303 1/20 0.39
ERBB3 P21860 2/20 0.38
DUS2 Q9NX74 1/20 0.38
CCNT1 O60563 1/20 0.38
AURKA O14965 1/20 0.38
INSR P06213 1/20 0.38
FBP1 P09467 1/20 0.38
PDGFRB P09619 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
CLK1 P49759 1/20 0.38
EPHB4 P54760 1/20 0.38
TEK Q02763 1/20 0.38
AURKB Q96GD4 1/20 0.38
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL19089669 0.88 EGFR (0.49) EGFRTNNI3KERBB2ERBB4ERBB3
SCHEMBL20548999 0.88 EGFR (0.46) EGFRTNNI3KCDK9ERBB3CCNT1
SCHEMBL19089423 0.80 EGFR (0.44) EGFRTNNI3KCDK9ERBB2ERBB3
SCHEMBL19089668 0.75 EGFR (0.54) EGFRKDR
SCHEMBL19089505 0.74 EGFR (0.56) EGFRTNNI3KERBB2ERBB4ERBB3
SCHEMBL19089424 0.73 KMT2A (0.43) EGFRTNNI3KERBB3
SCHEMBL29373957 0.72 ABCG2 (0.41) EGFRTNNI3KCDK9ERBB3CDK4
SCHEMBL28688099 0.72 ABCG2 (0.41) EGFRTNNI3KCDK9ERBB3CDK4
SCHEMBL7777514 0.72 TNNI3K (0.53) EGFRTNNI3KKDRCDK4CDK2
SCHEMBL2205173 0.71 KMT2A (0.55) EGFRTNNI3KCDK9ERBB2CCNT1

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 4 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

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 EGFR 1/4885TNNI3K 111/4885CDK9 857/4885
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY EGFR, ABL1, CSNK1A1 EGFR 1/4885TNNI3K 111/4885CDK9 857/4885

“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.