SCHEMBL1720565

SCHEMBL1720565

Cc1cc(C)cc(C(C)Nc2noc3cccnc23)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
PLK1 P53350 5/20 0.41
GRM4 Q14833 7/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
PLK2 Q9NYY3 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SGMS2 Q8NHU3 1/20 0.33
PSMD14 O00487 1/20 0.33
COPS5 Q92905 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1720526 0.79 EPHX2 (0.45) EPHX2PLK1ALDH1A1HPGDPLK2
SCHEMBL1720561 0.76 EPHX2 (0.46) EPHX2ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL1720865 0.75 EPHX2 (0.46) EPHX2GRM4CYP1A2ALDH1A1HPGD
SCHEMBL1720789 0.74 EPHX2 (0.45) EPHX2PLK1PLK2MAPK1
SCHEMBL1720360 0.74 EPHX2 (0.45) EPHX2PLK1PLK2KDM4E
SCHEMBL14804987 0.73 GRM4 (0.56) EPHX2GRM4MAPK1KDM4EHTT
SCHEMBL18878950 0.72 EPHX2 (0.54) EPHX2GRM4CYP1A2MAPK1KDM4E
SCHEMBL14804999 0.70 EPHX2 (0.60) EPHX2GRM4CYP1A2HTTLMNA
SCHEMBL14804993 0.70 EPHX2 (0.50) EPHX2GRM4CYP1A2SGMS2LMNA
SCHEMBL1720568 0.69 PLK1 (0.35) PLK1KDM4ESMN1; SMN2TSHRHTT

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 5 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

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 4263/4885PLK1 1747/4885GRM4 498/4885

“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.