SCHEMBL17199125

SCHEMBL17199125

CCn1c(-c2cccc(C(F)(F)F)c2)cc2cc(N)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.43
TLR8 Q9NR97 1/20 0.41
MAPK14 Q16539 1/20 0.41
PPARG P37231 1/20 0.40
IKBKB O14920 1/20 0.40
BRD4 O60885 1/20 0.40
MAOB P27338 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HBB P68871 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL22683012 0.89 CYP19A1 (0.44) MAPK14MAPTMEN1KMT2ACYP1A2
SCHEMBL18470554 0.86 GRIK1 (0.46) GRIK1GRIK2TLR8MAPK14PPARG
SCHEMBL17199129 0.86 GRIK1 (0.45) GRIK1GRIK2MAPK1TLR8MAOB
SCHEMBL2419902 0.83 GRIK1 (0.48) GRIK1GRIK2MAPK1TLR8KDM4E
SCHEMBL28220763 0.82 GRIK1 (0.43) GRIK1GRIK2TLR8MAPK14PPARG
SCHEMBL2421447 0.81 GRIK1 (0.65) GRIK1GRIK2MAPK1KDM4EALDH1A1
SCHEMBL17199126 0.81 GRIK1 (0.48) GRIK1GRIK2MAPK1TSHRTLR8
SCHEMBL11686466 0.80 GRIK1 (0.60) GRIK1GRIK2PPARGALDH1A1ADORA1
SCHEMBL17199253 0.80 CYP19A1 (0.49) GRIK1GRIK2MAPK14PPARGMAOB
SCHEMBL22694746 0.80 GRIK1 (0.44) GRIK1GRIK2MAPK1KDM4EALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 GRIK1 1667/4885GRIK2 2228/4885MAPK1 940/4885
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF PTGES, PTGS1, PTGIS GRIK1 1667/4885GRIK2 2228/4885MAPK1 940/4885

“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.