SCHEMBL3537413

SCHEMBL3537413

COc1ccc2[nH]ncc2c1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
AXL P30530 2/20 0.41
IDO1 P14902 1/20 0.41
DRD1 P21728 1/20 0.40
METAP2 P50579 2/20 0.40
RET P07949 1/20 0.39
KIF5B P33176 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
NOS1 P29475 3/20 0.39
RAF1 P04049 3/20 0.39
BRAF P15056 3/20 0.39
CYP1A2 P05177 1/20 0.39
TLR8 Q9NR97 1/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38

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
SCHEMBL26131847 0.81 MKNK1 (0.41) BRD4AXLIDO1METAP2NOS1
SCHEMBL19304040 0.81 BRD4 (0.44) BRD4AXLIDO1METAP2RET
SCHEMBL25799617 0.80 BRD4 (0.47) BRD4AXLIDO1DRD1METAP2
SCHEMBL31411430 0.80 BRD4 (0.47) BRD4AXLIDO1METAP2RET
SCHEMBL1963674 0.80 CSNK2A1 (0.48) BRD4AXLIDO1METAP2RET
SCHEMBL2669701 0.80 BRD4 (0.47) BRD4AXLIDO1DRD1METAP2
SCHEMBL30861139 0.80 CSNK2A1 (0.48) BRD4AXLIDO1METAP2RET
SCHEMBL1965644 0.80 BRD4 (0.47) BRD4AXLIDO1METAP2RET
SCHEMBL24652326 0.80 TRPA1 (0.45) BRD4AXLIDO1METAP2NOS1
SCHEMBL23979717 0.77 BRD4 (0.44) BRD4AXLIDO1METAP2RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4265609-A1 THYROID HORMONE RECEPTOR BETA SELECTIVE AGONIST COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-10-25 EP disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
EP-3193851-B1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-10-21 EP disclosed
EP-3636639-A1 INHIBITORS OF KRAS G12C Araxes Pharma LLC (US) 2020-04-15 EP disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
WO-2017172979-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE ARAXES PHARMA LLC (US) 2017-10-05 WO disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
WO-2016049568-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2016-03-31 WO disclosed
WO-2016044772-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2016-03-24 WO disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 WO disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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 (6 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-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS KRAS, NRAS, HRAS BRD4 1452/4885AXL 4272/4885IDO1 4472/4885
US-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK BRD4 562/4885AXL 1503/4885IDO1 1393/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS BRD4 1469/4885AXL 1041/4885IDO1 4265/4885
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA BRD4 2162/4885AXL 1805/4885IDO1 2940/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS BRD4 1469/4885AXL 1041/4885IDO1 4265/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS BRD4 537/4885AXL 3181/4885IDO1 4631/4885

“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.