SCHEMBL17199299

SCHEMBL17199299

FC(F)(F)c1ccc(-n2cc3ccccc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.48
ESR2 Q92731 1/20 0.44
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NOTUM Q6P988 1/20 0.42
SRC P12931 1/20 0.42
BRAF P15056 1/20 0.42
KDR P35968 1/20 0.42
CASR P41180 2/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AADAT Q8N5Z0 1/20 0.39
HIF1A Q16665 1/20 0.38
ADORA2A P29274 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL7848179 0.86 ESR2 (0.55) ADORA3ESR2MAPTRAB9AMEN1
SCHEMBL30966880 0.83 ESR2 (0.44) ADORA3ESR2MAPTRAB9AMEN1
SCHEMBL17199197 0.83 EPHX2 (0.51) ADORA3ESR2NOTUMKMT2AAADAT
SCHEMBL14036890 0.81 ESR2 (0.47) ADORA3ESR2MAPTRAB9ANOTUM
SCHEMBL2979520 0.80 ESR2 (0.62) ADORA3ESR2MAPTRAB9AMEN1
SCHEMBL28173544 0.80 RXRA (0.43) ADORA3ESR2MAPTRAB9AL3MBTL1
SCHEMBL29941110 0.79 ESR2 (0.49) ADORA3ESR2MAPTRAB9AL3MBTL1
SCHEMBL18470552 0.78 ESR2 (0.43) ADORA3ESR2MAPTRAB9ANOTUM
SCHEMBL17199128 0.78 ESR2 (0.43) ADORA3ESR2MAPTRAB9ANOTUM
SCHEMBL14005778 0.77 ADORA3 (0.54) ADORA3ESR2MAPTRAB9AMEN1

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
CN-115385858-B Photocatalytic preparation method of 2-phenyl-2H-indazole-3-carboxamide compound 河南师范大学 2024-03-01 CN disclosed
CN-113698349-B Aqueous phase photocatalysis preparation method of 2- (2-phenyl-2H-indazole-3-yl) acetate compound 河南师范大学 2023-08-01 CN disclosed
CN-116332851-A Cyanomethyl phenyl indazole compound and preparation method thereof 河南中医药大学 2023-06-27 CN disclosed
CN-115385858-A Photocatalytic preparation method of 2-phenyl-2H-indazole-3-formamide compound 河南师范大学 2022-11-25 CN disclosed
CN-113698349-A Water-phase photocatalytic preparation method of 2- (2-phenyl-2H-indazole-3-yl) acetate compounds 河南师范大学 2021-11-26 CN disclosed
EP-3133068-B1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF Shanghai hengrui pharmaceutical co ltd (CN) 2020-11-25 EP disclosed
US-10081629-B2 Amide derivatives and pharmaceutically acceptable salts thereof, preparation method thereof and medicinal application thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-09-25 US disclosed
CN-105636951-B Amide derivatives and its officinal salt, its preparation method and its application in medicine 上海恒瑞医药有限公司 2018-05-15 CN disclosed
EP-3133068-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2017-02-22 EP disclosed
EP-3133068-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2017-02-22 EP disclosed
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 US disclosed
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 US disclosed
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 US disclosed
CN-105636951-A Amide derivatives and pharmaceutically acceptable salts thereof, preparation method and medical application thereof Shanghai hengrui pharmaceutical co ltd 2016-06-01 CN disclosed
WO-2015158204-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF 上海恒瑞医药有限公司 2015-10-22 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-10081629-B2 Amide derivatives and pharmaceutically acceptable salts thereof, preparation method thereof and medicinal application thereof PTGES, PTGS1, PTGIS ADORA3 2568/4885ESR2 1921/4885MAPT 3600/4885
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF PTGES, PTGS1, PTGIS ADORA3 2568/4885ESR2 1921/4885MAPT 3600/4885

“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.