SCHEMBL17059202

SCHEMBL17059202

COc1cc(F)c([N+](=O)[O-])cc1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.46
HTT P42858 1/20 0.46
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
GAA P10253 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
CYP17A1 P05093 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL29823126 1.00 PKM (0.46) PKMHTTMMP1MMP2MMP9
SCHEMBL7008553 0.87 CYP17A1 (0.44) HTTGAAMEN1KMT2ARAB9A
SCHEMBL21879364 0.87 AAK1 (0.38) HTTMMP1MMP2MMP9MMP8
SCHEMBL19100744 0.85 PKM (0.49) PKMHTTMMP1MMP2MMP9
SCHEMBL21949213 0.85 HTT (0.46) PKMHTTMMP1MMP2MMP9
SCHEMBL25381719 0.85 PKM (0.43) PKMHTTMMP1MMP2MMP9
SCHEMBL21949472 0.85 PKM (0.52) PKMHTTMMP1MMP2MMP9
SCHEMBL25095983 0.84 CYP17A1 (0.44) HTTGAAMEN1KMT2ARAB9A
SCHEMBL26027721 0.84 L3MBTL1 (0.46) PKMHTTMMP1MMP2MMP9
SCHEMBL21879363 0.84 AAK1 (0.41) MMP1MMP2MMP9MMP8MMP13

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119591551-A 2, 4-Diaryl amino pyrimidine analogue, and preparation method and application thereof 沈阳药科大学 2025-03-11 CN disclosed
US-20230322753-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOI INC. (KR) 2023-10-12 US disclosed
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
CN-116194111-A Heteroaryl derivatives, process for preparing the same, and pharmaceutical compositions containing the same as active ingredient 株式会社沃若诺伊生物 2023-05-30 CN disclosed
US-20230150975-A1 COMPOUNDS USED AS KINASE INHIBITORS AND APPLICATION THEREOF TYK MEDICINES (ZHENGZHOU), INC. (CN) 2023-05-18 US disclosed
CN-113382991-B Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2022-12-27 CN 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-113382991-A Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2021-09-10 CN 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
CN-110818690-B Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2021-08-10 CN disclosed
EP-3144292-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD (US) 2017-03-22 EP disclosed
US-20170057957-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-03-02 US disclosed
US-20170057957-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-03-02 US disclosed
US-20170008889-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM Shanghai Haiyan Pharmaceutical Technology Co. Ltd. (CN) 2017-01-12 US disclosed
US-20170008889-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM Shanghai Haiyan Pharmaceutical Technology Co. Ltd. (CN) 2017-01-12 US disclosed
EP-3112364-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM Shanghai Haiyan Pharmaceutical Technology Co. Ltd. (CN) 2017-01-04 EP disclosed
WO-2016011979-A1 2,4-DISUBSTITUTED 7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND MEDICINAL USE THEREOF 上海海雁医药科技有限公司 2016-01-28 WO disclosed
WO-2015158233-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF 上海海雁医药科技有限公司 2015-10-22 WO disclosed
WO-2015127872-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM 上海海雁医药科技有限公司 2015-09-03 WO disclosed
CN-104817541-A Synthetic method of anti-tumor medicine SOUTHEAST PHARMACEUTICALS CO LTD 2015-08-05 CN 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-20170008889-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM ERBB2, EGFR, ERBB3 PKM 139/4885HTT 4670/4885MMP1 2464/4885
US-20230150975-A1 COMPOUNDS USED AS KINASE INHIBITORS AND APPLICATION THEREOF EGFR, ERBB2, ERBB3 PKM 2181/4885HTT 4694/4885MMP1 1551/4885
US-20170057957-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF CYP4F11, CYP2D6, CYP4B1 PKM 3026/4885HTT 4366/4885MMP1 3341/4885
US-20230322753-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT ERBB4, ERBB2, ERBB3 PKM 4342/4885HTT 1234/4885MMP1 4355/4885

“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.