SCHEMBL286093

SCHEMBL286093

Cc1onc(-c2ccccn2)c1CO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 11/20 0.55
ITGA5 P08648 2/20 0.44
NPC1 O15118 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
PKM P14618 3/20 0.40
TP53 P04637 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39

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
SCHEMBL300046 0.84 GABRA5 (0.52) GABRA5ITGA5NPC1KDM4EALDH1A1
SCHEMBL1778905 0.80 GABRA5 (0.54) GABRA5
SCHEMBL24656022 0.78 NPC1 (0.49) GABRA5NPC1KDM4EALDH1A1TSHR
SCHEMBL535835 0.77 GABRA5 (0.42) GABRA5NPC1KDM4EALDH1A1PKM
SCHEMBL107436 0.77 PTGS1 (0.58) GABRA5KDM4EALDH1A1PKMGAA
SCHEMBL1776320 0.76 GABRA5 (0.58) GABRA5ITGA5ALDH1A1POLBL3MBTL1
SCHEMBL12543755 0.74 GABRA5 (0.54) GABRA5KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL30684510 0.74 GABRA5 (0.54) GABRA5KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL20259011 0.73 GABRA1 (0.44) GABRA5ALDH1A1
SCHEMBL7114231 0.72 KDM4E (0.43) NPC1KDM4EALDH1A1TSHRPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427456-B1 ISOXAZOLE-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-02-05 EP disclosed
EP-2231651-B1 ISOXAZOLO-PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-11-21 EP disclosed
EP-2427459-B1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2016-09-28 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
WO-2010127974-A1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
WO-2010127975-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO 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-2010094669-A1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES ROCHE PALO ALTO LLC 2010-08-19 US 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-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES ROCHE PALO ALTO LLC 2009-06-04 US disclosed
US-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 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 (3 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 GABRA5 1/4885ITGA5 460/4885NPC1 1948/4885
US-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES GABRA5, GABRA1, GABRA4 GABRA5 1/4885ITGA5 175/4885NPC1 763/4885
US-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES GABRA5, CHRNA5, GABRA1 GABRA5 1/4885ITGA5 229/4885NPC1 1361/4885

“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.