SCHEMBL19089500

SCHEMBL19089500

COc1cc(N(C)CCN(C)C)c(N)cc1Nc1cc(Nc2cccc(Br)c2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.46
ERBB3 P21860 2/20 0.45
ERBB2 P04626 2/20 0.41
TNNI3K Q59H18 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAK O14976 1/20 0.41
MAPK13 O15264 1/20 0.41
ABL1 P00519 1/20 0.41
CYP1A2 P05177 1/20 0.41
CDK1 P06493 1/20 0.41
CYP3A4 P08684 1/20 0.41
FBP1 P09467 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
SRC P12931 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHB2 P29323 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL35210281 1.00 EGFR (0.46) EGFRERBB3ERBB2TNNI3KKDM4E
SCHEMBL19089591 0.88 EGFR (0.45) EGFRERBB2KDM4EGAKMAPK13
SCHEMBL19089365 0.87 EGFR (0.49) EGFRKDR
SCHEMBL19089673 0.86 EGFR (0.44) EGFRERBB3ERBB2TNNI3KGAK
SCHEMBL19089604 0.85 EGFR (0.49) EGFRERBB3TNNI3KFBP1
SCHEMBL35210346 0.82 EGFR (0.62) EGFR
SCHEMBL19089502 0.82 EGFR (0.62) EGFR
SCHEMBL19089358 0.81 EGFR (0.39) EGFRERBB3TNNI3KFBP1
SCHEMBL19089675 0.81 EGFR (0.49) EGFRERBB3ERBB2ABL1FBP1
SCHEMBL19089356 0.81 EGFR (0.39) EGFRERBB3TNNI3KKDM4E

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
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 EGFR 1/4885ERBB3 8/4885ERBB2 4/4885
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY EGFR, ABL1, CSNK1A1 EGFR 1/4885ERBB3 8/4885ERBB2 4/4885

“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.