SCHEMBL13429105

SCHEMBL13429105

Cc1ccccc1Oc1cc(=O)[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 1/20 0.62
NQO2 P16083 1/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GRM5 P41594 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
GFER P55789 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 2/20 0.43
F2 P00734 1/20 0.43
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL13429106 0.84 KMT2A (0.53) TNKS2CYP1A2CYP2C19NQO2KDM4E
SCHEMBL13429142 0.81 CYP1A2 (0.49) TNKS2CYP1A2CYP2C19NQO2KDM4E
SCHEMBL13429044 0.81 CYP1A2 (0.49) TNKS2CYP1A2CYP2C19NQO2KDM4E
SCHEMBL13429180 0.81 CYP1A2 (0.57) TNKS2CYP1A2CYP2C19NQO2KDM4E
SCHEMBL13429075 0.80 CYP1A2 (0.56) TNKS2CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL2008835 0.79 HPGD (0.54) TNKS2CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL2799080 0.78 TNKS2 (0.61) TNKS2CYP1A2CYP2C19NQO2KDM4E
SCHEMBL31664571 0.78 TNKS2 (0.61) TNKS2CYP1A2CYP2C19NQO2KDM4E
SCHEMBL3202433 0.78 CYP1A2 (0.45) TNKS2CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL13429069 0.78 CYP1A2 (0.53) TNKS2CYP1A2CYP2C19KDM4EALDH1A1

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

“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.