SCHEMBL16417232

SCHEMBL16417232

COC(=O)c1c(Cl)c(C(=O)C(=O)NC(C)(C)C)cn1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.35
BRD4 O60885 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
PKM P14618 1/20 0.34
MAPK14 Q16539 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
BAZ2A Q9UIF9 1/20 0.31
RAF1 P04049 1/20 0.30

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
SCHEMBL16416413 0.81 NR4A2 (0.40) NR4A2BRD4CYP1A2CYP2C19PKM
SCHEMBL22906126 0.79 NR4A2 (0.39) NR4A2BRD4MAPK14IMPDH2IMPDH1
SCHEMBL16417169 0.78 ALDH1A1 (0.36) NR4A2BRD4CYP1A2CYP2C19PKM
SCHEMBL17838262 0.78 ALDH1A1 (0.36) NR4A2BRD4CYP1A2CYP2C19PKM
SCHEMBL29712831 0.76 MAPT (0.36) NR4A2POLBHPGDNPSR1
SCHEMBL17838276 0.75 BAZ2B (0.45) NR4A2BRD4CYP1A2CYP2C19KDM4E
SCHEMBL28854899 0.74 POLB (0.36) CYP2C19POLBAPEX1KDM4EBAZ2B
SCHEMBL16416973 0.73 BAZ2B (0.40) PKMHPGDNPSR1BAZ2BBAZ2A
SCHEMBL16416854 0.72 SMN1; SMN2 (0.33) KDM4EHPGD
SCHEMBL17838289 0.72 POLB (0.36) POLBAPEX1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108047115-B Glyoxylamide-substituted pyrrole amide derivatives and their use as medicaments for the treatment of hepatitis B 爱尔兰詹森科学公司 2021-06-29 CN disclosed
US-10450270-B2 Glyoxamide substituted pyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2019-10-22 US disclosed
EP-3357906-A1 GLYOXAMIDE SUBSTITUTED PYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B Janssen Sciences Ireland UC (IE) 2018-08-08 EP disclosed
EP-3024819-B1 GLYOXAMIDE SUBSTITUTED PYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2018-02-21 EP disclosed
US-20160176817-A1 GLYOXAMIDE SUBSTITUTED PYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2016-06-23 US disclosed
EP-3024819-A1 GLYOXAMIDE SUBSTITUTED PYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B Janssen Sciences Ireland UC (IE) 2016-06-01 EP disclosed
WO-2015011281-A1 GLYOXAMIDE SUBSTITUTED PYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN R&D IRELAND (IE) 2015-01-29 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-10450270-B2 Glyoxamide substituted pyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B GRHPR, AGXT, GLS2 NR4A2 2490/4885BRD4 150/4885CYP1A2 404/4885
US-20160176817-A1 GLYOXAMIDE SUBSTITUTED PYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B GRHPR, AGXT, GLS2 NR4A2 2490/4885BRD4 150/4885CYP1A2 404/4885

“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.