SCHEMBL4304500

SCHEMBL4304500

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.52
GABRA5 P31644 1/20 0.45
KMT2A Q03164 1/20 0.44
GPBAR1 Q8TDU6 5/20 0.40
POLB P06746 1/20 0.39
PTGS1 P23219 2/20 0.36
PTGS2 P35354 1/20 0.36
BRD4 O60885 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
GRM2 Q14416 1/20 0.35
MAPK14 Q16539 1/20 0.35
KMO O15229 1/20 0.35
HSD11B1 P28845 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
SCHEMBL4309565 0.86 ATM (0.48) ATMGABRA5KMT2AGPBAR1POLB
SCHEMBL2956539 0.86 ATM (0.54) ATMGABRA5KMT2APOLBBRD4
SCHEMBL4305043 0.80 ATM (0.54) ATMGABRA5KMT2AGPBAR1POLB
SCHEMBL4306194 0.80 ATM (0.60) ATMGABRA5KMT2AGPBAR1PTGS1
SCHEMBL23150903 0.79 ATM (0.44) ATMGABRA5KMT2AGPBAR1POLB
SCHEMBL2931350 0.78 GABRA5 (0.53) GABRA5GPBAR1POLBPTGS1PTGS2
SCHEMBL16333679 0.77 GPBAR1 (0.53) GABRA5KMT2AGPBAR1POLBTP53
SCHEMBL4300399 0.76 ATM (0.54) ATMGABRA5KMT2AGPBAR1POLB
SCHEMBL2964778 0.75 ATM (0.53) ATMGABRA5KMT2ABRD4
SCHEMBL4302233 0.74 ATM (0.54) ATMGABRA5KMT2AGPBAR1PTGS1

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 14 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-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-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
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 2740/4885GABRA5 1/4885KMT2A 3647/4885
US-20130274468-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885GABRA5 1/4885KMT2A 3542/4885
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885GABRA5 1/4885KMT2A 3542/4885
US-20130281690-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885GABRA5 1/4885KMT2A 3542/4885
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885GABRA5 1/4885KMT2A 3542/4885
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885GABRA5 1/4885KMT2A 3542/4885

“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.