SCHEMBL13429347

SCHEMBL13429347

O=c1cc(Oc2cccc(-c3ccc(NC4CCN(Cc5ccncc5)CC4)cc3)c2)c2ccccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
ROCK2 O75116 5/20 0.41
ROCK1 Q13464 3/20 0.41
CCR2 P41597 1/20 0.41
WNT1 P04628 1/20 0.39
DYRK1A Q13627 1/20 0.39
ITK Q08881 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
BACE1 P56817 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PRKAA2 P54646 1/20 0.38
F10 P00742 1/20 0.38
MCHR1 Q99705 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
SCHEMBL13429343 0.91 PRKAA2 (0.42) LTA4HROCK2ROCK1CCR2ITK
SCHEMBL13429349 0.88 ROCK2 (0.40) LTA4HROCK2ROCK1TLR9TLR7
SCHEMBL3216819 0.84 FLT3 (0.44) DYRK1ATLR9TLR7
SCHEMBL3217214 0.81 CYP1A2 (0.40) TLR9TLR7F10
SCHEMBL13429248 0.80 EPHX1 (0.45)
SCHEMBL13429351 0.79 FGFR1 (0.42) ROCK2ROCK1ITK
SCHEMBL3211159 0.79 DRD4 (0.42) ROCK2ROCK1TLR9TLR7PRKAA2
SCHEMBL13429184 0.78 GRIN2D (0.45)
SCHEMBL13429239 0.74 KDM4E (0.53) TLR7
SCHEMBL3224822 0.74 DRD2 (0.42) TLR9TLR7

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 LTA4H 4301/4885ROCK2 371/4885ROCK1 481/4885

“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.