SCHEMBL1720865

SCHEMBL1720865

Cc1cc(C)cc(CNc2noc3cccnc23)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
RPS6KB1 P23443 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
GRM4 Q14833 6/20 0.40
MAPT P10636 2/20 0.38
CYP1A2 P05177 2/20 0.38
EGFR P00533 1/20 0.38
POLB P06746 3/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1721951 0.78 EPHX2 (0.46) EPHX2RPS6KB1MAPTCYP1A2POLB
SCHEMBL2769771 0.75 SGMS2 (0.40) EPHX2RPS6KB1SGMS2MAPTCYP1A2
SCHEMBL1720565 0.75 EPHX2 (0.45) EPHX2SGMS2GRM4CYP1A2MAPK1
SCHEMBL13180267 0.74 EPHX2 (0.43) EPHX2GRM4MAPTEGFRPOLB
SCHEMBL14804987 0.74 GRM4 (0.56) EPHX2SGMS2GRM4EGFRMAPK1
SCHEMBL1721240 0.74 EPHX2 (0.47) EPHX2RPS6KB1GRM4MAPTEGFR
SCHEMBL1721125 0.73 EPHX2 (0.46) EPHX2RPS6KB1SGMS2MAPTCYP1A2
SCHEMBL1720968 0.73 EPHX2 (0.46) EPHX2RPS6KB1SGMS2MAPTCYP1A2
SCHEMBL18878950 0.73 EPHX2 (0.54) EPHX2GRM4MAPTCYP1A2POLB
SCHEMBL14804999 0.71 EPHX2 (0.60) EPHX2GRM4MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406265-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 EP claimed
WO-2010102778-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 WO claimed
US-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 US claimed
EP-2406265-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 EP disclosed
WO-2010102778-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 WO disclosed
US-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 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 (1 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-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 EPHX2 4263/4885RPS6KB1 1333/4885SGMS2 2963/4885

“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.