SCHEMBL4155160

SCHEMBL4155160

O=C(O)c1cccc2oc(NC3CCNCC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 2/20 0.43
AURKA O14965 1/20 0.43
HTR3A P46098 8/20 0.41
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
PARP1 P09874 2/20 0.40
ROCK2 O75116 1/20 0.39
IDO1 P14902 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ELANE P08246 1/20 0.38
CSNK2A1 P68400 1/20 0.37
TOP2A P11388 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL1121563 0.87 RIPK1 (0.48) RPS6KB1AURKAHTR3APARP1ROCK2
Hydrochloric Acid SCHEMBL1008234 0.86 HDAC6 (0.47) HTR3AROCK2IDO1MAOAMAOB
SCHEMBL1121608 0.83 HTR3A (0.43) RPS6KB1AURKAHTR3APARP1CYP2C19
SCHEMBL1121350 0.82 IRAK4 (0.36) RPS6KB1AURKAPIM1PIM2ELANE
SCHEMBL1121610 0.82 RPS6KB1 (0.41) RPS6KB1AURKAHTR3APARP1ROCK2
SCHEMBL1121676 0.81 HTR3A (0.42) RPS6KB1AURKAHTR3APARP1ROCK2
SCHEMBL3577759 0.81 ELANE (0.49) RPS6KB1AURKAHTR3APIM1PIM2
SCHEMBL1121260 0.80 POLB (0.43) HTR3A
SCHEMBL1121259 0.78 CTSL (0.40) RPS6KB1AURKAHTR3AELANECYP2C19
SCHEMBL1121489 0.77 PARP1 (0.48) PARP1

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 6 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
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 RPS6KB1 1822/4885AURKA 3898/4885HTR3A 465/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R RPS6KB1 1822/4885AURKA 3898/4885HTR3A 465/4885

“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.