SCHEMBL2964778

SCHEMBL2964778

Cc1onc(-c2ccc(F)c(F)c2)c1C(O)c1c(-c2ccc(F)c(F)c2)noc1C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.53
KMT2A Q03164 3/20 0.53
GABRA5 P31644 6/20 0.43
PAX8 Q06710 1/20 0.40
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
BRD4 O60885 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1780933 0.83 ATM (0.74) ATMKMT2AGABRA5HTR7BRD4
SCHEMBL1781880 0.81 ATM (0.63) ATMKMT2AGABRA5HTR7BRD4
SCHEMBL4300399 0.80 ATM (0.54) ATMKMT2AGABRA5KDM4EBRD4
SCHEMBL4975382 0.79 GABRA5 (0.39) ATMKMT2AGABRA5PAX8MEN1
SCHEMBL4305043 0.78 ATM (0.54) ATMKMT2AGABRA5PAX8HSD17B10
SCHEMBL2961416 0.76 GABRA5 (0.50) KMT2AGABRA5PAX8MEN1KDM4E
SCHEMBL4304500 0.75 ATM (0.52) ATMKMT2AGABRA5BRD4
SCHEMBL2471731 0.75 KMT2A (0.51) KMT2AGABRA5MEN1KDM4EHSD17B10
SCHEMBL4309565 0.75 ATM (0.48) ATMKMT2AGABRA5BRD4
SCHEMBL2956539 0.75 ATM (0.54) ATMKMT2AGABRA5MEN1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8877783-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-8877782-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-20130274468-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-8518974-B2 Isoxazolo-pyridine derivatives Hoffmann-La Roche Inc (US) 2013-08-27 US disclosed
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-07-19 US disclosed
EP-2227467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 ATM 2740/4885KMT2A 3647/4885GABRA5 1/4885
US-20130274468-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885KMT2A 3542/4885GABRA5 1/4885
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885KMT2A 3542/4885GABRA5 1/4885
US-20130281690-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885KMT2A 3542/4885GABRA5 1/4885
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885KMT2A 3542/4885GABRA5 1/4885
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885KMT2A 3542/4885GABRA5 1/4885

“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.