SCHEMBL4063363

SCHEMBL4063363

Cn1ccnc1Cc1nccn1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.48
LPO P22079 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
OPRK1 P41145 1/20 0.38
TRPM5 Q9NZQ8 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL7154948 0.84 FDPS (0.48) FDPSLPOKMT2AMEN1HTT
SCHEMBL48663 0.82
Bromide SCHEMBL29657458 0.82 FDPS (0.47) FDPSLPOKMT2AMEN1HTT
SCHEMBL46655 0.81
SCHEMBL1044189 0.81 KMT2A (0.54) FDPSKMT2AMEN1KDM4EGABRA1
Water SCHEMBL15333942 0.80
SCHEMBL7352436 0.80
Hydrochloric Acid SCHEMBL720759 0.80
SCHEMBL4837660 0.80
SCHEMBL1427464 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553988-B2 Method for producing coupling compound SUMITOMO CHEMICAL COMPANY, LIMTED (JP) 2009-06-30 US claimed
US-7217677-B2 Method for producing coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-15 US claimed
US-20060281925-A1 METHOD FOR PRODUCING COUPLING COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-12-14 US claimed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
US-20180030207-A1 LINEAR CYCLODEXTRIN COPOLYMERS CALIFORNIA INSTITUTE OF TECHNOLOGY 2018-02-01 US disclosed
US-20170049903-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-02-23 US disclosed
EP-2474527-B1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEM IND LTD (JP) 2017-01-25 EP disclosed
US-9133158-B2 Bicyclic dihydroisoquinoline-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2015-09-15 US disclosed
US-20150203634-A1 LINEAR CYCLODEXTRIN COPOLYMERS CALIFORNIA INSTITUTE OF TECHNOLOGY 2015-07-23 US disclosed
US-20150050233-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2015-02-19 US disclosed
US-20150031753-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2015-01-29 US disclosed
US-7375096-B1 Method of preparing a supramolecular complex containing a therapeutic agent and a multi-dimensional polymer network CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-05-20 US disclosed
EP-1439157-B1 Method for producing Suzuki coupling compound catalysed by a nickel compound SUMITOMO CHEMICAL CO (JP) 2007-07-11 EP disclosed
US-20070128167-A1 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-06-07 US disclosed
US-7217677-B2 Method for producing coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-15 US disclosed
US-20070025952-A1 Linear cyclodextrin copolymers CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-02-01 US disclosed
US-7166302-B2 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-01-23 US disclosed
US-20060281925-A1 METHOD FOR PRODUCING COUPLING COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-12-14 US disclosed
US-20040161404-A1 Method for producing coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-19 US disclosed
EP-1439157-A2 Method for producing Suzuki coupling compound catalysed by a nickel compound Sumitomo Chemical Co.,Ltd. (JP) 2004-07-21 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 (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-20180030207-A1 LINEAR CYCLODEXTRIN COPOLYMERS DDOST, SI, PDIA6 FDPS 1678/4885LPO 89/4885KMT2A 4873/4885
US-20150031753-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES INTS6, EXOSC5, PCBP1 FDPS 318/4885LPO 1467/4885KMT2A 4801/4885
US-20070025952-A1 Linear cyclodextrin copolymers DDOST, SI, PDIA6 FDPS 1678/4885LPO 89/4885KMT2A 4873/4885
US-20060281925-A1 METHOD FOR PRODUCING COUPLING COMPOUND RPL22, CYP4A22, PYM1 FDPS 3077/4885LPO 3717/4885KMT2A 2076/4885
US-20070128167-A1 Complexing agents for compositions containing inclusion complexes INTS6, EXOSC5, PCBP1 FDPS 318/4885LPO 1467/4885KMT2A 4801/4885
US-20150050233-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES EXOSC5, EXOSC9, INTS6 FDPS 461/4885LPO 1331/4885KMT2A 4806/4885
US-20170049903-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES INTS6, EXOSC5, PCBP1 FDPS 318/4885LPO 1467/4885KMT2A 4801/4885
US-20040161404-A1 Method for producing coupling compound PYM1, MALT1, BET1 FDPS 4343/4885LPO 2702/4885KMT2A 1177/4885

“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.