SCHEMBL548019

SCHEMBL548019

COC(=O)C(C)(C)c1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.49
NPSR1 Q6W5P4 1/20 0.45
KCNN4 O15554 1/20 0.44
SRC P12931 1/20 0.41
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ELANE P08246 1/20 0.37
RIPK1 Q13546 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL29280609 0.85 NPSR1 (0.45) PLCG1NPSR1KCNN4SRCPDK1
SCHEMBL31612952 0.85 NPSR1 (0.45) PLCG1NPSR1KCNN4SRCPDK1
SCHEMBL29108677 0.83 PLCG1 (0.44) PLCG1NPSR1KCNN4SRCKMT2A
SCHEMBL22745946 0.82 CA1 (0.44) PLCG1NPSR1KCNN4KMT2AMEN1
SCHEMBL27801144 0.81 PLCG1 (0.51) PLCG1NPSR1KCNN4SRCELANE
SCHEMBL9129412 0.80 SRC (0.43) PLCG1NPSR1KCNN4SRCKMT2A
SCHEMBL4964275 0.79 PLCG1 (0.50) PLCG1NPSR1KCNN4SRCPDK1
SCHEMBL11708179 0.79 TSHR (0.52) PLCG1NPSR1KCNN4SRCHTT
SCHEMBL31251995 0.79 PTGDR2 (0.45) PLCG1KCNN4KMT2AMEN1NPC1
SCHEMBL3136256 0.79 KMT2A (0.41) PDK1PDK2PDK3PDK4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093334-B Organic electroluminescent compound, preparation method thereof and organic electroluminescent device 吉林奥来德光电材料股份有限公司 2023-04-07 CN claimed
CN-115093334-A Organic electroluminescent compound, preparation method thereof and organic electroluminescent device 吉林奥来德光电材料股份有限公司 2022-09-23 CN claimed
US-20240083857-A1 2-Methyl-Quinazolines Bayer Pharma AG (DE) 2024-03-14 US disclosed
CN-115093334-B Organic electroluminescent compound, preparation method thereof and organic electroluminescent device 吉林奥来德光电材料股份有限公司 2023-04-07 CN disclosed
CN-115093334-A Organic electroluminescent compound, preparation method thereof and organic electroluminescent device 吉林奥来德光电材料股份有限公司 2022-09-23 CN disclosed
US-20220235013-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-07-28 US disclosed
EP-3601267-A1 2-METHYL-QUINAZOLINES Bayer Pharma Aktiengesellschaft (DE) 2020-02-05 EP disclosed
WO-2018172250-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-27 WO disclosed
US-8623911-B2 Boron-containing small molecules as anti-protozoal agent ANACOR PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-8623911-B2 Boron-containing small molecules as anti-protozoal agent ANACOR PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-8623911-B2 Boron-containing small molecules as anti-protozoal agent ANACOR PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20130231304-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENT ANACOR PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
CN-101628872-B New method for preparing functionalised benzocyclobutenes and its application in the synthesis of ivabradine and its addition salts CENTRE NAT RECH SCIENT 2013-04-17 CN disclosed
US-8288581-B2 Process for the preparation of functionalised benzocyclobutenes, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2012-10-16 US disclosed
US-20120116112-A1 PROCESS FOR THE PREPARATION OF FUNCTIONALISED BENZOCYCLOBUTENES, AND APPLICATION IN THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2012-05-10 US disclosed
US-8110701-B2 Process for the preparation of functionalised benzocyclobutenes, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2012-02-07 US disclosed
WO-2011116348-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENT ANACOR PHARMACEUTICALS, INC. (US) 2011-09-22 WO disclosed
WO-2011116348-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENT ANACOR PHARMACEUTICALS, INC. (US) 2011-09-22 WO disclosed
US-20100016580-A1 Process for the preparation of functionalised benzocyclobutenes, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2010-01-21 US disclosed
CN-101628872-A New method for preparing functionalised benzocyclobutenes and its application to the synthesis of ivabradine and its addition salts with a pharmaceutically acceptable acid SERVIER LAB 2010-01-20 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 (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-20240083857-A1 2-Methyl-Quinazolines NRAS, KRAS, KSR2 PLCG1 1958/4885NPSR1 1753/4885KCNN4 4022/4885
US-20100016580-A1 Process for the preparation of functionalised benzocyclobutenes, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid BDKRB2, HRH2, C1R PLCG1 4112/4885NPSR1 808/4885KCNN4 116/4885
US-20120116112-A1 PROCESS FOR THE PREPARATION OF FUNCTIONALISED BENZOCYCLOBUTENES, AND APPLICATION IN THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID CYP4F2, CYP2B6, CYP4F8 PLCG1 4486/4885NPSR1 916/4885KCNN4 175/4885
US-20220235013-A1 2-METHYL-QUINAZOLINES NRAS, KRAS, KSR2 PLCG1 1958/4885NPSR1 1753/4885KCNN4 4022/4885
US-20130231304-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENT BRDT, BRI3BP, BTN3A1 PLCG1 2547/4885NPSR1 3286/4885KCNN4 4201/4885

“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.