SCHEMBL1121350

SCHEMBL1121350

Ic1cccc2oc(NC3CCNCC3)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ELANE P08246 2/20 0.36
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
PAK4 O96013 3/20 0.35
HTR6 P50406 2/20 0.35
PIM1 P11309 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
CYP1A2 P05177 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
OPRK1 P41145 1/20 0.34
AURKA O14965 1/20 0.34

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
SCHEMBL4155160 0.82 RPS6KB1 (0.43) ELANEPIM1AURKARPS6KB1PIM2
SCHEMBL1121259 0.80 CTSL (0.40) ELANECYP1A2AURKARPS6KB1
SCHEMBL3577272 0.77 OPRK1 (0.53) ELANECYP1A2CLK4OPRK1
SCHEMBL1121563 0.77 RIPK1 (0.48) AURKARPS6KB1
Bromide SCHEMBL3570691 0.76 OPRK1 (0.52) ELANECYP1A2CLK4OPRK1
SCHEMBL9774889 0.74 CHRNA7 (0.43) IRAK4HRH3MAPK8CYP1A2CLK4
SCHEMBL1121608 0.74 HTR3A (0.43) AURKARPS6KB1
SCHEMBL1121355 0.74 F2RL3 (0.41) CYP1A2
Bromide SCHEMBL3574591 0.73 CHRNA7 (0.42) IRAK4HRH3MAPK8CYP1A2CLK4
SCHEMBL1121610 0.72 RPS6KB1 (0.41) IRAK4AURKARPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101253171-B Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives HOFFMANN LA ROCHE 2011-06-15 CN disclosed
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
CN-101253171-A Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives HOFFMANN LA ROCHE (CH) 2008-08-27 CN 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 IRAK4 439/4885HRH3 496/4885ELANE 2772/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R IRAK4 439/4885HRH3 496/4885ELANE 2772/4885

“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.