SCHEMBL15071850

SCHEMBL15071850

COC(=O)c1c(Br)nc(Br)n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 4/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
MET P08581 1/20 0.35
PDGFRA P16234 1/20 0.35
PRKACA P17612 1/20 0.35
LTK P29376 1/20 0.35
GRK5 P34947 1/20 0.35
KDR P35968 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35

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
SCHEMBL21879989 0.82 NPSR1 (0.50) NPSR1KDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL21880088 0.81 NPSR1 (0.39) NPSR1KDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL23931173 0.79 GPR35 (0.36) CSNK2A2CSNK2BCSNK2A1SMN1; SMN2L3MBTL1
SCHEMBL23930858 0.79 NPSR1 (0.34) NPSR1KDM4EDAPK3JAK2PRKD3
SCHEMBL21879927 0.78 NPSR1 (0.36) NPSR1KDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL23214476 0.78 NPSR1 (0.36) NPSR1KDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL21879948 0.77 NPSR1 (0.35) NPSR1KDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL19385591 0.74 NPSR1 (0.50) NPSR1KDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL20477354 0.72 ADCY10 (0.43) KDM4EMAPK8PABPC1EIF4HRXFP1
SCHEMBL16210785 0.72 NPSR1 (0.42) NPSR1KDM4EDAPK3JAK2PRKD3

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12065430-B2 Indazole compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-08-20 US disclosed
EP-3871673-B1 NOVEL INDAZOLE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2024-01-03 EP disclosed
US-20230183213-A1 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV ASSEMBLY BIOSCIENCES, INC. 2023-06-15 US disclosed
US-20230181536-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C TAIHO PHARMACEUTICAL CO LTD (JP) 2023-06-15 US disclosed
US-20230183213-A1 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV ASSEMBLY BIOSCIENCES, INC. 2023-06-15 US disclosed
US-20230183213-A1 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV ASSEMBLY BIOSCIENCES, INC. 2023-06-15 US disclosed
WO-2023069544-A1 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV ASSEMBLY BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
WO-2023069544-A1 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV ASSEMBLY BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
WO-2023069547-A1 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV ASSEMBLY BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
WO-2023069547-A1 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV ASSEMBLY BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
WO-2021216656-A1 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV ASSEMBLY BIOSCIENCES, INC. (US) 2021-10-28 WO disclosed
WO-2021215545-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-10-28 WO disclosed
WO-2021216656-A1 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV ASSEMBLY BIOSCIENCES, INC. (US) 2021-10-28 WO disclosed
US-10947203-B2 1,4,5-substituted 1,2,3-triazole analogues as antagonists of the pregnane X receptor ST. JUDE CHILDREN'S RSEARCH HOSPITAL (US) 2021-03-16 US disclosed
WO-2020085493-A1 NOVEL INDAZOLE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2020-04-30 WO disclosed
US-20200071281-A1 1,4,5-SUBSTITUTED 1,2,3-TRIAZOLE ANALOGUES AS ANTAGONISTS OF THE PREGNANE X RECEPTOR ST JUDE CHILDREN?S RES HOSPITAL (US) 2020-03-05 US disclosed
US-10550091-B2 1,4,5-substituted 1,2,3-triazole analogues as antagonists of the pregnane X receptor ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2020-02-04 US disclosed
US-20190077770-A1 1,4,5-SUBSTITUTED 1,2,3-TRIAZOLE ANALOGUES AS ANTAGONISTS OF THE PREGNANE X RECEPTOR ST. JUDE CHILDREN'S RSEARCH HOSPITAL 2019-03-14 US disclosed
WO-2017165139-A1 1,4,5-SUBSTITUTED 1,2,3-TRIAZOLE ANALOGUES AS ANTAGONISTS OF THE PREGNANE X RECEPTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2017-09-28 WO disclosed
US-20130165472-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US 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 (8 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-10550091-B2 1,4,5-substituted 1,2,3-triazole analogues as antagonists of the pregnane X receptor NR5A1, CYP11B1, CYP3A5 NPSR1 152/4885KDM4E 3569/4885CSNK2A2 2553/4885
US-12065430-B2 Indazole compound or salt thereof RCOR3, H1-3, BICRA NPSR1 2050/4885KDM4E 3013/4885CSNK2A2 649/4885
US-20230183213-A1 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV HCCS, HAVCR2, MAVS NPSR1 4635/4885KDM4E 1967/4885CSNK2A2 738/4885
US-20200071281-A1 1,4,5-SUBSTITUTED 1,2,3-TRIAZOLE ANALOGUES AS ANTAGONISTS OF THE PREGNANE X RECEPTOR NR5A1, CYP11B1, CYP3A5 NPSR1 152/4885KDM4E 3569/4885CSNK2A2 2553/4885
US-20130165472-A1 HETEROARYLS AND USES THEREOF PIK3R4, VPS4B, PIK3C2A NPSR1 2496/4885KDM4E 1283/4885CSNK2A2 737/4885
US-10947203-B2 1,4,5-substituted 1,2,3-triazole analogues as antagonists of the pregnane X receptor NR5A1, CYP11B1, CYP3A5 NPSR1 166/4885KDM4E 3741/4885CSNK2A2 2598/4885
US-20230181536-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C KRAS, NRAS, HRAS NPSR1 4865/4885KDM4E 3461/4885CSNK2A2 485/4885
US-20190077770-A1 1,4,5-SUBSTITUTED 1,2,3-TRIAZOLE ANALOGUES AS ANTAGONISTS OF THE PREGNANE X RECEPTOR NR5A1, CYP11B1, CYP3A5 NPSR1 152/4885KDM4E 3569/4885CSNK2A2 2553/4885

“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.