SCHEMBL13429136

SCHEMBL13429136

O=c1cc(Oc2cccc(C(F)(F)F)c2)c2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.47
KDM4E B2RXH2 3/20 0.46
KIF11 P52732 3/20 0.46
BRAF P15056 3/20 0.44
ABCG2 Q9UNQ0 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PTK6 Q13882 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
ICAM1 P05362 1/20 0.40
SELE P16581 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 0.86 KIF11 (0.48) MCL1KDM4EKIF11BRAFABCG2
SCHEMBL13429145 0.84 KIF11 (0.52) KDM4EKIF11BRAFCYP1A2CYP2C19
SCHEMBL13429036 0.82 HPGD (0.46) KDM4EBRAFABCG2CYP1A2CYP2C19
SCHEMBL2008835 0.81 HPGD (0.54) KDM4ECYP1A2CYP2C19TNKS2L3MBTL1
SCHEMBL3225355 0.80 CYP1A2 (0.45) KDM4EBRAFCYP1A2CYP2C19TNKS2
SCHEMBL3222448 0.80 CYP1A2 (0.45) KDM4EBRAFABCG2CYP1A2CYP2C19
SCHEMBL13429161 0.80 HPGD (0.54) MCL1KDM4ECYP1A2CYP2C19TNKS2
SCHEMBL13429074 0.80 ABCG2 (0.51) KDM4EABCG2CYP1A2CYP2C19TNKS2
SCHEMBL13429069 0.80 CYP1A2 (0.53) MCL1KDM4ECYP1A2CYP2C19TNKS2
SCHEMBL3224936 0.80 MAOB (0.47) KDM4ECYP1A2CYP2C19TNKS2L3MBTL1

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 MCL1 1036/4885KDM4E 728/4885KIF11 2758/4885

“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.