SCHEMBL19089505

SCHEMBL19089505

COc1cc(F)c([N+](=O)[O-])cc1Nc1cc(Nc2cccc(Br)c2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.56
ERBB3 P21860 3/20 0.47
FBP1 P09467 2/20 0.47
TNNI3K Q59H18 2/20 0.46
ERBB2 P04626 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAK O14976 1/20 0.43
MAPK13 O15264 1/20 0.43
ABL1 P00519 1/20 0.43
CYP1A2 P05177 1/20 0.43
CDK1 P06493 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
SRC P12931 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
EPHB2 P29323 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL20548999 0.88 EGFR (0.46) EGFRERBB3FBP1TNNI3KCDK1
SCHEMBL19089363 0.86 EGFR (0.49) EGFRFBP1GAKKDR
SCHEMBL19089669 0.83 EGFR (0.49) EGFRERBB3FBP1TNNI3KERBB2
SCHEMBL19089604 0.82 EGFR (0.49) EGFRERBB3FBP1TNNI3K
SCHEMBL19089423 0.79 EGFR (0.44) EGFRERBB3FBP1TNNI3KERBB2
SCHEMBL19089424 0.79 KMT2A (0.43) EGFRERBB3TNNI3KMAPTMAPK1
SCHEMBL31588399 0.77 SCN9A (0.43) MAPTMAPK1MKNK1ABCG2
SCHEMBL22819298 0.77 ABCG2 (0.42) EGFRERBB3TNNI3KCYP1A2CYP2D6
SCHEMBL28688099 0.76 ABCG2 (0.41) EGFRERBB3TNNI3KMAPTMAPK1
SCHEMBL29373957 0.76 ABCG2 (0.41) EGFRERBB3TNNI3KMAPTMAPK1

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 EGFR 1/4885ERBB3 8/4885FBP1 4123/4885
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY EGFR, ABL1, CSNK1A1 EGFR 1/4885ERBB3 8/4885FBP1 4123/4885

“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.