SCHEMBL16735359

SCHEMBL16735359

COC(=O)c1cccc2c[n+]([O-])ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
SCN9A Q15858 1/20 0.43
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CFTR P13569 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL30402103 1.00 MAPT (0.49) MAPTSCN9AKDM4EPOLBATM
SCHEMBL28892181 0.88 MAPT (0.49) MAPTSCN9AKDM4EPOLBATM
SCHEMBL30104315 0.77 MAPT (0.43) MAPTKDM4EPOLBATMABL1
SCHEMBL24704091 0.77 MAPT (0.43) MAPTKDM4EPOLBATMABL1
SCHEMBL522791 0.77 MAPT (0.63) MAPTKDM4EPOLBATMMAPK8
SCHEMBL29580762 0.77 MAPT (0.63) MAPTKDM4EPOLBATMMAPK8
SCHEMBL1011953 0.75 MAPT (0.54) MAPTKDM4EPOLBATMABL1
SCHEMBL11055936 0.75 MAPT (0.61) MAPTKDM4EPOLBATMMAPK8
SCHEMBL28866217 0.75 MAPT (0.61) MAPTKDM4EPOLBATMMAPK8
SCHEMBL28775345 0.75 MAPT (0.61) MAPTKDM4EPOLBATMMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-10-05 US disclosed
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-10-05 US disclosed
EP-4238967-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-09-06 EP disclosed
WO-2022089219-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-05-05 WO disclosed
US-9388165-B2 Isoquinoline-5-carboxamide derivative having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2016-07-12 US disclosed
US-20150191450-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2015-07-09 US disclosed
EP-2876107-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2015-05-27 EP disclosed
CN-104487420-A Isoquinoline-5-carboxamide derivatives having protein kinase inhibitory activity HANMI PHARM IND CO LTD 2015-04-01 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 (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-20150191450-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE CSNK1A1, MAP3K5, MAP4K2 MAPT 2554/4885SCN9A 1217/4885KDM4E 1369/4885
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF AHR, ARNT, NOTUM MAPT 2751/4885SCN9A 3021/4885KDM4E 2749/4885

“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.