SCHEMBL5214545

SCHEMBL5214545

O=C1COc2ccc(OC3CCCNC3)cc2N1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.49
ROCK2 O75116 2/20 0.49
PRKX P51817 1/20 0.49
PRKCE Q02156 1/20 0.49
PRKCD Q05655 1/20 0.49
PRKD1 Q15139 1/20 0.49
HTR1A P08908 8/20 0.47
MMP12 P39900 1/20 0.46
ALK Q9UM73 1/20 0.43
PARP1 P09874 2/20 0.43
KCNH2 Q12809 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL13927967 1.00 ROCK1 (0.49) ROCK1ROCK2PRKXPRKCEPRKCD
Hydrochloric Acid SCHEMBL4188753 0.99 ROCK1 (0.48) ROCK1ROCK2PRKXPRKCEPRKCD
SCHEMBL4186945 0.93 HTR1A (0.48) ROCK1HTR1AMMP12PARP1GAA
SCHEMBL13927893 0.93 HTR1A (0.48) ROCK1HTR1AMMP12PARP1GAA
SCHEMBL5220761 0.93 HTR1A (0.48) ROCK1HTR1AMMP12PARP1GAA
Hydrochloric Acid SCHEMBL4184405 0.92 HTR1A (0.48) ROCK1HTR1AMMP12PARP1GAA
Hydrochloric Acid SCHEMBL4195942 0.92 HTR1A (0.48) ROCK1HTR1AMMP12PARP1GAA
SCHEMBL5248767 0.85 HTR1A (0.52) ROCK1ROCK2PRKCDHTR1AMMP12
Hydrochloric Acid SCHEMBL4184444 0.84 HTR1A (0.52) ROCK1ROCK2PRKCDHTR1AMMP12
SCHEMBL5216722 0.81 MAP2K1 (0.52) HTR1AMMP12PARP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP disclosed
US-6939871-B2 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2005-09-06 US disclosed
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C (GB) 2004-04-01 US disclosed
EP-1330460-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-07-30 EP disclosed
WO-2002034754-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-02 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 (1 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-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 ROCK1 2691/4885ROCK2 3415/4885PRKX 3296/4885

“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.