SCHEMBL13429043

SCHEMBL13429043

O=c1cc(Oc2ccccc2C(F)(F)F)c2ccccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
AR P10275 11/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MCL1 Q07820 1/20 0.44
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL13429146 0.79 KIF11 (0.48) KIF11CYP1A2CYP2C19TNKS2KDM4E
SCHEMBL31423124 0.78 AR (0.63) CYP1A2CYP2C19TNKS2ARKDM4E
SCHEMBL1174115 0.78 AR (0.63) CYP1A2CYP2C19TNKS2ARKDM4E
SCHEMBL13429106 0.78 KMT2A (0.53) CYP1A2CYP2C19TNKS2KDM4EALDH1A1
SCHEMBL13429105 0.78 TNKS2 (0.62) CYP1A2CYP2C19TNKS2KDM4EALDH1A1
SCHEMBL13429142 0.78 CYP1A2 (0.49) CYP1A2CYP2C19TNKS2KDM4EALDH1A1
SCHEMBL13429044 0.78 CYP1A2 (0.49) CYP1A2CYP2C19TNKS2KDM4EALDH1A1
SCHEMBL3202433 0.77 CYP1A2 (0.45) CYP1A2CYP2C19TNKS2KDM4EALDH1A1
SCHEMBL13429136 0.77 MCL1 (0.47) KIF11CYP1A2CYP2C19TNKS2KDM4E
SCHEMBL13429066 0.77 KDM4E (0.50) 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
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 KIF11 2758/4885CYP1A2 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.