SCHEMBL3202433

SCHEMBL3202433

O=c1cc(Oc2ccccc2OC(F)F)c2ccccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
KDM4E B2RXH2 9/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 4/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GFER P55789 1/20 0.39
F2 P00734 1/20 0.39
SCN8A Q9UQD0 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
GRM5 P41594 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL3202425 0.84 CYP1A2 (0.44) CYP1A2CYP2C19TNKS2KDM4EALDH1A1
SCHEMBL13429106 0.81 KMT2A (0.53) CYP1A2CYP2C19TNKS2KDM4EALDH1A1
SCHEMBL13429142 0.78 CYP1A2 (0.49) CYP1A2CYP2C19TNKS2KDM4EALDH1A1
SCHEMBL13429105 0.78 TNKS2 (0.62) CYP1A2CYP2C19TNKS2KDM4EALDH1A1
SCHEMBL13429044 0.78 CYP1A2 (0.49) CYP1A2CYP2C19TNKS2KDM4EALDH1A1
SCHEMBL13429043 0.77 KIF11 (0.45) CYP1A2CYP2C19TNKS2KDM4EALDH1A1
SCHEMBL13429066 0.77 KDM4E (0.50) CYP1A2CYP2C19TNKS2KDM4EALDH1A1
SCHEMBL2008835 0.75 HPGD (0.54) CYP1A2CYP2C19TNKS2KDM4EALDH1A1
SCHEMBL13429004 0.73 CTSV (0.50) CYP1A2CYP2C19TNKS2KDM4EALDH1A1
SCHEMBL31664571 0.72 TNKS2 (0.61) CYP1A2CYP2C19TNKS2KDM4EALDH1A1

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 2 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

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 CYP1A2 2131/4885CYP2C19 930/4885TNKS2 487/4885

“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.