SCHEMBL1776269

SCHEMBL1776269

Cc1onc(-c2ccc(F)cc2)c1CN

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.50
GABRA5 P31644 12/20 0.49
PTGS1 P23219 1/20 0.44
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DPP4 P27487 1/20 0.43
GABRG2 P18507 4/20 0.43
GABRB3 P28472 4/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL286403 0.83 GABRA5 (0.52) PTGS2GABRA5PTGS1KMT2AATM
SCHEMBL21834100 0.83 GABRA5 (0.49) PTGS2GABRA5PTGS1KMT2AATM
SCHEMBL286512 0.83 GABRA5 (0.49) PTGS2GABRA5PTGS1KMT2AATM
SCHEMBL286436 0.83 PTGS1 (0.58) PTGS2GABRA5PTGS1KMT2AALDH1A1
SCHEMBL1777407 0.81 GABRA5 (0.51) GABRA5ALDH1A1DPP4
Water SCHEMBL27477176 0.81 PTGS1 (0.56) PTGS2GABRA5PTGS1KMT2AALDH1A1
SCHEMBL3828988 0.81 ALDH1A1 (0.43) PTGS2GABRA5PTGS1ALDH1A1
SCHEMBL4790252 0.80 GABRA5 (0.49) PTGS2GABRA5ALDH1A1GABRG2GABRB3
SCHEMBL3820430 0.80 GABRA5 (0.52) GABRA5ALDH1A1
SCHEMBL3824856 0.78 PTGS2 (0.57) PTGS2PTGS1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231651-B1 ISOXAZOLO-PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-11-21 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
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-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-7943619-B2 Isoxazolo-pyridazine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-17 US 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-2009071476-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed
WO-2009071477-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed
US-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 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 PTGS2 3620/4885GABRA5 1/4885PTGS1 2443/4885
US-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES GABRA5, CHRNA5, GABRA1 PTGS2 1436/4885GABRA5 1/4885PTGS1 1233/4885
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 PTGS2 3560/4885GABRA5 1/4885PTGS1 2445/4885
US-20130281690-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 PTGS2 3560/4885GABRA5 1/4885PTGS1 2445/4885
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 PTGS2 3560/4885GABRA5 1/4885PTGS1 2445/4885
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 PTGS2 3560/4885GABRA5 1/4885PTGS1 2445/4885

“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.