SCHEMBL6039615

SCHEMBL6039615

Clc1nccc(-n2cnc3ccccc32)n1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.68
RPS6KA5 O75582 1/20 0.66
POLB P06746 1/20 0.58
CDK2 P24941 1/20 0.57
MKNK1 Q9BUB5 12/20 0.57
LCK P06239 3/20 0.57
MKNK2 Q9HBH9 9/20 0.56

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
SCHEMBL6039505 0.81 MAP3K14 (0.58) ROCK1RPS6KA5CDK2MKNK1LCK
SCHEMBL6039398 0.81 MAP3K14 (0.74) ROCK1RPS6KA5CDK2LCK
SCHEMBL21554382 0.81 ROCK1 (0.68) ROCK1POLBMKNK1LCKMKNK2
SCHEMBL12821560 0.81 ROCK1 (1.00) ROCK1POLBCDK2MKNK1LCK
SCHEMBL19100965 0.79 RPS6KA5 (1.00) ROCK1RPS6KA5CDK2
SCHEMBL2147667 0.79 POLB (0.70) ROCK1POLBCDK2MKNK1LCK
SCHEMBL31722849 0.79 POLB (0.70) ROCK1POLBCDK2MKNK1LCK
SCHEMBL7024738 0.77 ROCK1 (0.62) ROCK1RPS6KA5POLBMKNK1LCK
SCHEMBL30459869 0.76 FGFR1 (0.56) ROCK1RPS6KA5MKNK1LCKMKNK2
SCHEMBL17683156 0.76 FGFR1 (0.56) ROCK1RPS6KA5MKNK1LCKMKNK2

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 15 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
EP-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 EP disclosed
CN-109328059-B Selective inhibitors of clinically important mutants of EGFR tyrosine kinase CS制药技术有限公司 2021-08-17 CN disclosed
US-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase CS PHARMATECH LIMITED (KY) 2019-10-08 US 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-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-07-09 US disclosed
CN-109328059-A Selective inhibitors of clinically important mutants of EGFR tyrosine kinase CS制药技术有限公司 2019-02-12 CN disclosed
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE HIGH GREAT INVESTMENT LIMITED (HK) 2019-01-24 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
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-01-17 US disclosed
EP-3399968-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmatech Limited (KY) 2018-11-14 EP 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-2017120429-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmasciences, Inc. (US) 2017-07-13 WO 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
WO-2006038001-A1 AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS CELLTECH R & D LIMITED (GB) 2006-04-13 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 (4 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 ROCK1 1838/4885RPS6KA5 379/4885POLB 4684/4885
US-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase EGFR, ERBB3, ERBB2 ROCK1 311/4885RPS6KA5 582/4885POLB 3475/4885
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY EGFR, ABL1, CSNK1A1 ROCK1 1838/4885RPS6KA5 379/4885POLB 4684/4885
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 ROCK1 311/4885RPS6KA5 582/4885POLB 3475/4885

“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.