SCHEMBL835250

SCHEMBL835250

O=S(=O)(Oc1ccc(-c2ccc(-c3ccncn3)nc2-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.37
CYP2D6 P10635 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
MAPK9 P45984 3/20 0.34
MAP4K4 O95819 1/20 0.34
EGFR P00533 1/20 0.34
FRK P42685 1/20 0.34
CSNK1A1 P48729 1/20 0.34
MAPK11 Q15759 2/20 0.33
MAPK14 Q16539 2/20 0.33
MAPK13 O15264 1/20 0.33
RAF1 P04049 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK10 P53779 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
SCN9A Q15858 5/20 0.31
PDE4A P27815 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31

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
SCHEMBL834531 0.85 SCN9A (0.39) ADORA2BSLC22A12MAPK14ADORA2AADORA1
SCHEMBL834264 0.85 PADI1 (0.43) ADORA2BADORA2AADORA1PDE4APDE4C
SCHEMBL7383947 0.82 CYP2D6 (0.50) CYP2D6SLC22A12CA1CA2
SCHEMBL835238 0.82 ABL1 (0.38) SLC22A12ADORA2AADORA1CA1CA2
SCHEMBL835228 0.82 PDE4A (0.37) SLC22A12ADORA2AADORA1PDE4APDE4C
SCHEMBL835233 0.80 PTGS2 (0.40) ADORA2BSLC22A12ADORA2AADORA1SCN9A
SCHEMBL835410 0.74 ADORA2B (0.39) ADORA2BCYP2D6MAPK9MAP4K4EGFR
SCHEMBL834452 0.74 ADORA2B (0.39) ADORA2BCYP2D6SLC22A12MAPK9MAP4K4
SCHEMBL834421 0.74 MAPK14 (0.49) ADORA2BMAPK9MAP4K4EGFRFRK
SCHEMBL1773200 0.68 TNF (0.44) CYP2D6SLC22A12

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-9209408-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-12-08 US disclosed
US-9209408-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-12-08 US disclosed
US-20130261304-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-03 US disclosed
US-20130261304-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-03 US disclosed
US-8450485-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-28 US disclosed
US-8450485-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-28 US disclosed
US-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-07-12 US disclosed
US-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-07-12 US disclosed
US-8142911-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-27 US disclosed
US-8142911-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-27 US disclosed
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-11-19 US disclosed
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-11-19 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 (2 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-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative XDH, CYP2C9, CYP4X1 ADORA2B 1841/4885CYP2D6 74/4885SLC22A12 1966/4885
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative XDH, CYP2C9, CYP4X1 ADORA2B 1889/4885CYP2D6 95/4885SLC22A12 1936/4885

“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.