SCHEMBL3227033

SCHEMBL3227033

O=c1cc(Oc2cccc(NCc3ccc(F)nc3)c2)c2ccccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
AR P10275 1/20 0.39
BRAF P15056 6/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CACNA1B Q00975 2/20 0.37
BRD4 O60885 2/20 0.37
GRM5 P41594 1/20 0.37
PTK6 Q13882 1/20 0.37

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
SCHEMBL3221532 0.89 GAA (0.41) MEN1GAAKMT2ABRAFCYP3A4
SCHEMBL13429368 0.89 MEN1 (0.42) MEN1GAAKMT2ABRAFCACNA1B
SCHEMBL13429319 0.87 MEN1 (0.45) MEN1GAAKMT2ACYP3A4CYP2C19
SCHEMBL13429362 0.86 CACNA1B (0.41) MEN1GAAKMT2ABRAFCACNA1B
SCHEMBL13428999 0.85 CACNA1B (0.50) MEN1GAAKMT2AARBRAF
SCHEMBL3213960 0.85 MEN1 (0.40) MEN1GAAKMT2AARBRAF
SCHEMBL3219003 0.85 BRAF (0.48) MEN1GAAKMT2AARBRAF
SCHEMBL13429372 0.84 MEN1 (0.39) MEN1GAAKMT2AARBRAF
SCHEMBL3214639 0.84 SMN1; SMN2 (0.49) MEN1GAAKMT2ABRAFCYP3A4
SCHEMBL3214363 0.84 CYP1A2 (0.44) MEN1GAAKMT2ABRAFGRM5

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 4 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 claimed
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
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 MEN1 2648/4885GAA 1227/4885KMT2A 2445/4885

“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.