SCHEMBL2956539

SCHEMBL2956539

Cc1onc(-c2ccc(F)cc2F)c1C(O)c1c(-c2ccc(F)cc2F)noc1C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.54
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
GABRA5 P31644 4/20 0.43
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.38
BRD4 O60885 2/20 0.37
THRB P10828 1/20 0.37
P2RX7 Q99572 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
BACE1 P56817 1/20 0.34

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
SCHEMBL4305043 0.88 ATM (0.54) ATMKMT2APOLBMAPTGABRA5
SCHEMBL4309565 0.88 ATM (0.48) ATMKMT2APOLBMAPTGABRA5
SCHEMBL4304500 0.86 ATM (0.52) ATMKMT2APOLBMAPTGABRA5
SCHEMBL4306194 0.82 ATM (0.60) ATMKMT2AGABRA5ALDH1A1BRD4
SCHEMBL1780933 0.78 ATM (0.74) ATMKMT2AGABRA5BRD4
SCHEMBL3126454 0.77 POLB (0.45) POLBMAPTGABRA5KCNH2ALDH1A1
SCHEMBL4302233 0.77 ATM (0.54) ATMKMT2AMAPTGABRA5ALDH1A1
SCHEMBL2925601 0.77 GABRA5 (0.51) POLBMAPTGABRA5KCNH2ALDH1A1
SCHEMBL1781880 0.77 ATM (0.63) ATMKMT2AGABRA5BRD4GAA
SCHEMBL5773540 0.75 MAPT (0.57) KMT2APOLBMAPTGABRA5THRB

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-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-20130274467-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-20130274468-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 3647/4885POLB 3831/4885
US-20130274468-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885KMT2A 3542/4885POLB 3764/4885
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885KMT2A 3542/4885POLB 3764/4885
US-20130281690-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885KMT2A 3542/4885POLB 3764/4885
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885KMT2A 3542/4885POLB 3764/4885
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885KMT2A 3542/4885POLB 3764/4885

“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.