SCHEMBL4074613

SCHEMBL4074613

c1ccc2c(c1)Nc1c(cccc1-c1ccncc1)O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.48
PIK3CD O00329 1/20 0.41
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
IMPDH2 P12268 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DHODH Q02127 1/20 0.36
PRKACA P17612 2/20 0.36
CDK2 P24941 2/20 0.36
GSK3B P49841 2/20 0.36
CDC7 O00311 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL2774415 0.87 ALOX5 (0.57) ALOX5MAPK1GAANPSR1DHODH
Bromide SCHEMBL2778445 0.85 ALOX5 (0.55) ALOX5MAPK1GAANPSR1DHODH
SCHEMBL28562737 0.84 ALOX5 (0.44) ALOX5GAANPSR1DHODHCLK4
SCHEMBL5125255 0.84 ALOX5 (0.48) ALOX5HSD17B10GAAMAPTALDH1A1
SCHEMBL18834556 0.83 ALOX5 (0.47) ALOX5MAPK1GAANPSR1DHODH
SCHEMBL9093133 0.83 ALOX5 (0.50) ALOX5GAANPSR1DHODHMAPT
SCHEMBL21523872 0.81 ALOX5 (0.48) ALOX5MAPK1GAANPSR1DHODH
SCHEMBL22581204 0.81 ALOX5 (0.48) ALOX5MAPK1GAANPSR1DHODH
SCHEMBL30208696 0.81 ALOX5 (0.48) ALOX5MAPK1GAANPSR1DHODH
SCHEMBL28311818 0.81 ALOX5 (0.44) ALOX5HSD17B10DHODHALDH1A1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215761-A1 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
EP-1874731-A4 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS INC (US) 2009-08-05 EP disclosed
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS COATS STEVEN J 2008-12-25 US disclosed
US-7432257-B2 Piperdinyl-phenoxazine and phenothiazine derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-07 US disclosed
US-7402579-B2 Quinobenzoxazine analogs and compositions CYLENE PHARMACEUTICALS, INC. (US) 2008-07-22 US disclosed
EP-1874731-A2 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF Cylene Pharmaceuticals, Inc. (US) 2008-01-09 EP disclosed
US-20060264634-A1 Quinobenzoxazine analogs and methods of using thereof CYLENE PHARMACEUTICALS, INC. 2006-11-23 US disclosed
WO-2006113509-A2 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed
US-20060148823-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-06 US 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-20060148823-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 ALOX5 1363/4885PIK3CD 630/4885MAPK1 3809/4885
US-20060264634-A1 Quinobenzoxazine analogs and methods of using thereof CYP2W1, NQO2, UGT2B7 ALOX5 329/4885PIK3CD 4361/4885MAPK1 4603/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 ALOX5 1363/4885PIK3CD 630/4885MAPK1 3809/4885
US-20090215761-A1 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYP2W1, NQO2, UGT2B7 ALOX5 329/4885PIK3CD 4361/4885MAPK1 4603/4885

“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.