SCHEMBL857261

SCHEMBL857261

CNc1c(-c2ccccc2)noc1C

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.59
PTGS1 P23219 4/20 0.59
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
BRD4 O60885 1/20 0.47
BRD2 P25440 1/20 0.47
MAPT P10636 2/20 0.46
MT-CO2 P00403 2/20 0.46
GABRA5 P31644 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSP90AB1 P08238 1/20 0.45
NTRK1 P04629 1/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4029460 0.81 NPSR1 (0.61) PTGS2PTGS1MEN1GAAKMT2A
SCHEMBL17790727 0.79 MAPT (0.60) PTGS2PTGS1MEN1GAAKMT2A
SCHEMBL5530438 0.77 MEN1 (0.54) PTGS2PTGS1MEN1GAAKMT2A
SCHEMBL6435523 0.77 ALDH1A1 (0.63) PTGS2PTGS1TSHRNPSR1MT-CO2
SCHEMBL5527223 0.77 MEN1 (0.61) PTGS2PTGS1MEN1GAAKMT2A
SCHEMBL13961216 0.76 SCN9A (0.45) PTGS2PTGS1GAAKMT2ATSHR
SCHEMBL2205047 0.76 PTGS1 (0.68) PTGS2PTGS1MEN1GAAKMT2A
SCHEMBL9878955 0.75 PTGS1 (0.66) PTGS2PTGS1MEN1GAAKMT2A
SCHEMBL2277199 0.75 PTGS2 (1.00) PTGS2PTGS1KMT2ANPSR1BRD4
SCHEMBL13960220 0.74 GAA (0.55) PTGS2GAAKMT2ATSHRNPSR1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231651-B1 ISOXAZOLO-PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-11-21 EP disclosed
EP-2767536-B1 Isoxazolo-pyridine derivatives HOFFMANN LA ROCHE (CH) 2015-09-02 EP disclosed
US-9073908-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2015-07-07 US disclosed
EP-2227467-B1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
US-8877782-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-8877783-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-8846719-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-09-30 US disclosed
EP-2767536-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2014-08-20 EP disclosed
US-20130281690-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-24 US disclosed
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US disclosed
CN-101889010-A Isoxazolo-pyridine derivatives HOFFMANN LA ROCHE 2010-11-17 CN disclosed
CN-101883769-A Isoxazole-pyrazine derivatives HOFFMANN LA ROCHE 2010-11-10 CN disclosed
EP-2231651-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
EP-2227467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2009071477-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed
WO-2009071476-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed
US-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES ROCHE PALO ALTO LLC 2009-06-04 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 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 (4 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-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES GABRA5, GABRA1, CHRNA5 PTGS2 3620/4885PTGS1 2443/4885MEN1 4423/4885
US-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES GABRA5, CHRNA5, GABRA1 PTGS2 1436/4885PTGS1 1233/4885MEN1 4824/4885
US-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 PTGS2 127/4885PTGS1 48/4885MEN1 3363/4885
US-20130281690-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 PTGS2 3560/4885PTGS1 2445/4885MEN1 4496/4885

“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.