SCHEMBL2006717

SCHEMBL2006717

O=[C]c1ccc2ccncc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 4/20 0.57
PRKCZ Q05513 1/20 0.46
CYP19A1 P11511 2/20 0.39
TBXAS1 P24557 1/20 0.39
IMPDH2 P12268 2/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
IKBKB O14920 1/20 0.37
CYP17A1 P05093 1/20 0.37
PRKCI P41743 1/20 0.36
TDO2 P48775 1/20 0.36
GSK3B P49841 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL2010292 0.92 MELK (0.49) MELKPRKCZCYP19A1IMPDH2CYP11B1
SCHEMBL31478754 0.80 MELK (0.57) MELKPRKCZCYP19A1TBXAS1IMPDH2
SCHEMBL3350817 0.80 MELK (0.57) MELKPRKCZCYP19A1TBXAS1IMPDH2
SCHEMBL28325580 0.78 MELK (0.56) MELKPRKCZCYP19A1TBXAS1IMPDH2
SCHEMBL5182331 0.78 CYP1A2 (0.35) MELK
SCHEMBL28435230 0.77 MELK (0.63) MELKPRKCZCYP19A1TBXAS1CYP11B1
SCHEMBL2011298 0.77 ALDH1A1 (0.33) MELK
SCHEMBL4022260 0.75 ASIC3 (0.33) CYP11B1CYP11B2CYP17A1
SCHEMBL2012088 0.73 HPGDS (0.36) MELKCSNK1DCSNK1ECLK1DYRK1A
SCHEMBL2012640 0.73 EGFR (0.38) MELKCSNK1DCSNK1ECLK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-01 US disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
EP-2133343-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-12-16 EP disclosed
EP-2003135-A9 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-04-22 EP disclosed
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-02-12 US disclosed
EP-2003135-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2008-12-17 EP disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 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 (4 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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 MELK 1689/4885PRKCZ 3244/4885CYP19A1 1399/4885
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE MELK 2510/4885PRKCZ 3157/4885CYP19A1 425/4885
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 MELK 1951/4885PRKCZ 1584/4885CYP19A1 26/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A MELK 2107/4885PRKCZ 2849/4885CYP19A1 1827/4885

“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.