SCHEMBL2011007

SCHEMBL2011007

O=[C]c1ccc2ncncc2c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.55
PIK3CA P42336 2/20 0.46
PIK3CD O00329 1/20 0.46
FGFR4 P22455 1/20 0.40
TDO2 P48775 1/20 0.39
AR P10275 1/20 0.39
BAZ1A Q9NRL2 1/20 0.35
IMPDH2 P12268 1/20 0.35
NAMPT P43490 1/20 0.34
ALDH1A1 P00352 1/20 0.33
BRAF P15056 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL2010330 0.85 EGFR (0.55) EGFRPIK3CAPIK3CDFGFR4TDO2
SCHEMBL3393275 0.81 EGFR (0.55) EGFRPIK3CAPIK3CDFGFR4TDO2
SCHEMBL30618089 0.81 EGFR (0.55) EGFRPIK3CAPIK3CDFGFR4TDO2
SCHEMBL30853054 0.81 EGFR (0.55) EGFRPIK3CAPIK3CDFGFR4TDO2
SCHEMBL737948 0.81 EGFR (0.55) EGFRPIK3CAPIK3CDFGFR4TDO2
SCHEMBL27788810 0.80 EGFR (0.53) EGFRPIK3CAPIK3CDFGFR4TDO2
Hydrochloric Acid SCHEMBL30376208 0.80 EGFR (0.53) EGFRPIK3CAPIK3CDFGFR4TDO2
SCHEMBL2012640 0.78 EGFR (0.38) EGFRPIK3CAPIK3CDALDH1A1
Formic Acid SCHEMBL30375687 0.77 EGFR (0.46) EGFRPIK3CAPIK3CDFGFR4AR
SCHEMBL7959593 0.75 EGFR (0.51) EGFRPIK3CAPIK3CDFGFR4ALDH1A1

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 EGFR 3640/4885PIK3CA 4252/4885PIK3CD 4331/4885
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE EGFR 4211/4885PIK3CA 1958/4885PIK3CD 1403/4885
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 EGFR 4342/4885PIK3CA 1447/4885PIK3CD 1740/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A EGFR 4538/4885PIK3CA 4276/4885PIK3CD 4289/4885

“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.