SCHEMBL1121676

SCHEMBL1121676

COC(=O)CNC(=O)c1cccc2oc(NC3CCNCC3)nc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 11/20 0.42
KCNH2 Q12809 3/20 0.39
CYP2C19 P33261 1/20 0.39
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CYP3A4 P08684 1/20 0.37
ROCK2 O75116 1/20 0.36
PARP1 P09874 1/20 0.36
CHRM1 P11229 1/20 0.36
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 2/20 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
SCHEMBL1121608 0.85 HTR3A (0.43) HTR3AKCNH2CYP2C19AURKARPS6KB1
SCHEMBL1121563 0.84 RIPK1 (0.48) HTR3AKCNH2CYP2C19CDK1CDK4
SCHEMBL1121302 0.83 PARP1 (0.46) HTR3APARP1
SCHEMBL4155160 0.81 RPS6KB1 (0.43) HTR3AKCNH2CYP2C19AURKARPS6KB1
SCHEMBL1121610 0.77 RPS6KB1 (0.41) HTR3ACDK1CDK4CCND1CDK2
SCHEMBL1121393 0.76 SSTR5 (0.64) KCNH2
SCHEMBL1121266 0.76 SSTR5 (0.65) KCNH2
SCHEMBL1121260 0.76 POLB (0.43) HTR3ACDK2
SCHEMBL1121385 0.75 SSTR5 (0.57) KCNH2
SCHEMBL1004928 0.73 RIPK1 (0.58) HTR3AROCK2HCRTR1HCRTR2

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-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP disclosed
US-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES BINGGELI ALFRED 2009-06-25 US disclosed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 US disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 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 (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-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES SSTR5, NPY5R, NPY1R HTR3A 465/4885KCNH2 1701/4885CYP2C19 355/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R HTR3A 465/4885KCNH2 1701/4885CYP2C19 355/4885

“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.