SCHEMBL23214318

SCHEMBL23214318

COC(=O)c1nc(Br)nn1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 4/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 2/20 0.31
JMJD6 Q6NYC1 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL29441637 0.87 NPSR1 (0.36) NPSR1L3MBTL1ALDH1A1KDM4E
SCHEMBL29441655 0.80 NPSR1 (0.36) NPSR1L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL4237820 0.80 CYP1A2 (0.40) L3MBTL1ALDH1A1KDM4ECYP1A2TP53
SCHEMBL31228324 0.79 NPSR1 (0.35) NPSR1
SCHEMBL23302080 0.75 MEN1 (0.32) SMN1; SMN2MEN1KMT2A
SCHEMBL29112659 0.74 NPSR1 (0.38) NPSR1L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL23214244 0.74 KCNH2 (0.35) NPSR1ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL26061187 0.73 NPSR1 (0.36) NPSR1L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL31696636 0.73 PKM (0.40) NPSR1L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL9826880 0.72 SMN1; SMN2 (0.51) NPSR1ALDH1A1LMNASMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114630822-B Biaryl dihydroorotate acid dehydrogenase inhibitors 詹森生物科技公司 2024-10-01 CN disclosed
US-20240158414-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2024-05-16 US disclosed
EP-4041714-B1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-13 EP disclosed
CN-117120430-A MK2 inhibitors and uses thereof 新特拉有限公司 2023-11-24 CN disclosed
US-20230373969-A1 MK2 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-11-23 US disclosed
US-20230373969-A1 MK2 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-11-23 US disclosed
US-20230265076-A1 MK2 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-08-24 US disclosed
US-20230265076-A1 MK2 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-08-24 US disclosed
US-11680056-B2 MK2 inhibitors and uses thereof XINTHERA, INC. (US) 2023-06-20 US disclosed
US-11680056-B2 MK2 inhibitors and uses thereof XINTHERA, INC. (US) 2023-06-20 US disclosed
US-20230037448-A1 FLUORINATED QUINOLINE AND QUINOXALINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES NOVIRA THERAPEUTICS, LLC 2023-02-09 US disclosed
EP-4051672-A1 FLUORINATED QUINOLINE AND QUINOXALINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES Janssen Biotech, Inc. (US) 2022-09-07 EP disclosed
EP-4041714-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-08-17 EP disclosed
CN-114650988-A Fluorinated quinoline and quinoxaline derivatives as inhibitors of dihydroorotate dehydrogenase (DHODH) for the treatment of cancer, autoimmune and inflammatory diseases 詹森生物科技公司 2022-06-21 CN disclosed
CN-114630822-A Biaryl dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2022-06-14 CN disclosed
WO-2022070068-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2022-04-07 WO disclosed
WO-2022053453-A1 AZOLE CARBOXAMIDE AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2022-03-17 WO disclosed
WO-2021084500-A1 FLUORINATED QUINOLINE AND QUINOXALINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES JANSSEN BIOTECH, INC. (US) 2021-05-06 WO disclosed
WO-2021084500-A1 FLUORINATED QUINOLINE AND QUINOXALINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES JANSSEN BIOTECH, INC. (US) 2021-05-06 WO disclosed
WO-2021070132-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2021-04-15 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 (5 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-20230373969-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, ENPP2, MAPKAPK2 NPSR1 3861/4885L3MBTL1 4666/4885ALDH1A1 4145/4885
US-11680056-B2 MK2 inhibitors and uses thereof MKNK2, ENPP2, MAPKAPK2 NPSR1 3861/4885L3MBTL1 4666/4885ALDH1A1 4145/4885
US-20230265076-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, ENPP2, MAPKAPK2 NPSR1 3861/4885L3MBTL1 4666/4885ALDH1A1 4145/4885
US-20240158414-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD NPSR1 4442/4885L3MBTL1 1251/4885ALDH1A1 54/4885
US-20230037448-A1 FLUORINATED QUINOLINE AND QUINOXALINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES DHODH, NQO2, DPYD NPSR1 4281/4885L3MBTL1 2129/4885ALDH1A1 85/4885

“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.