SCHEMBL1930296

SCHEMBL1930296

Cc1onc(-c2ccccc2)c1C(=O)NN

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
GAA P10253 1/20 0.70
TSHR P16473 2/20 0.67
HTT P42858 1/20 0.67
MAPK1 P28482 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.64
ALDH1A1 P00352 5/20 0.64
GHSR Q92847 1/20 0.62
ALOX12 P18054 1/20 0.61
KDM4E B2RXH2 1/20 0.61
POLB P06746 1/20 0.60
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
NCOR2 Q9Y618 1/20 0.60

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
SCHEMBL352886 0.86 TSHR (0.68) MEN1KMT2AGAATSHRHTT
SCHEMBL976467 0.86 TSHR (0.68) MEN1KMT2AGAATSHRHTT
SCHEMBL5533585 0.85 L3MBTL1 (0.69) MEN1KMT2AGAATSHRHTT
SCHEMBL8632489 0.84 GAA (0.65) MEN1KMT2AGAATSHRHTT
SCHEMBL5534089 0.83 GAA (0.74) MEN1KMT2AGAATSHRHTT
SCHEMBL903110 0.83 KMT2A (1.00) MEN1KMT2AGAATSHRHTT
SCHEMBL13501824 0.82 KMT2A (0.69) MEN1KMT2AGAATSHRHTT
SCHEMBL316093 0.82 KMT2A (0.76) MEN1KMT2AGAATSHRHTT
SCHEMBL27722453 0.82 KMT2A (0.76) MEN1KMT2AGAATSHRHTT
SCHEMBL17448690 0.82 KMT2A (0.70) MEN1KMT2AGAATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968972-B1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-28 EP disclosed
CN-101346372-B Aryl-isoxazol-4-yl-oxadiazole derivatives HOFFMANN LA ROCHE 2011-09-28 CN disclosed
US-7956074-B2 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-06-07 US disclosed
US-20090197875-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES BUETTELMANN BERND 2009-08-06 US disclosed
US-7541372-B2 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-06-02 US disclosed
CN-101346372-A Aryl-isoxazol-4-yl-oxadiazole derivatives HOFFMANN LA ROCHE (CH) 2009-01-14 CN disclosed
EP-1968972-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP disclosed
EP-1218369-B1 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2008-07-23 EP disclosed
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US disclosed
WO-2007071598-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-28 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-20090197875-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES GABRA5, GABRA4, GABRA3 MEN1 4825/4885KMT2A 2612/4885GAA 772/4885
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives GABRA5, GABRA4, GABRA3 MEN1 4825/4885KMT2A 2612/4885GAA 772/4885

“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.