SCHEMBL3225474

SCHEMBL3225474

O=c1cc(Oc2ccccc2)c2cc(-c3cc[nH]n3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.41
GPR84 Q9NQS5 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
BRD4 O60885 2/20 0.37
EGFR P00533 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RHEB Q15382 4/20 0.36
TNKS2 Q9H2K2 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ICMT O60725 1/20 0.34
SCN9A Q15858 1/20 0.34
CYP2C9 P11712 1/20 0.34
GSTP1 P09211 1/20 0.33
CYP1A2 P05177 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
SCHEMBL13429193 0.84 HPGD (0.43) XDHHPGDSMN1; SMN2MAPK1HTT
SCHEMBL13429090 0.83 TNKS2 (0.50) XDHGPR84HPGDSMN1; SMN2MAPK1
SCHEMBL13429131 0.81 ROCK2 (0.43) XDH
SCHEMBL13429009 0.80 MKNK1 (0.47) XDHGPR84HPGDSMN1; SMN2MAPK1
SCHEMBL13429012 0.79 XDH (0.44) XDHGPR84HPGDSMN1; SMN2MAPK1
SCHEMBL13429189 0.77 HPGD (0.47) HPGDSMN1; SMN2MAPK1HTTKMT2A
SCHEMBL13429095 0.76 GPR84 (0.38) XDHGPR84HPGDSMN1; SMN2MAPK1
SCHEMBL2008835 0.75 HPGD (0.54) GPR84HPGDSMN1; SMN2MAPK1HTT
SCHEMBL13429174 0.75 AXL (0.50) MAPK1BRD4
SCHEMBL13456364 0.75 XDH (0.37) XDHGPR84HPGDSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010030967-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH LLC (US) 2010-03-18 WO disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 US disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 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-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS MTOR, RICTOR, PIK3CA XDH 3748/4885GPR84 2488/4885HPGD 2472/4885

“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.