SCHEMBL3211159

SCHEMBL3211159

O=c1cc(Oc2cccc(NC3CCN(Cc4ccccn4)CC3)c2)c2ccccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
OPRM1 P35372 1/20 0.40
MCHR1 Q99705 2/20 0.39
KCNH2 Q12809 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 1/20 0.38
RAB9A P51151 1/20 0.38
PRKAA2 P54646 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 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
SCHEMBL13429349 0.91 ROCK2 (0.40) DRD4ROCK2ROCK1OPRM1MCHR1
SCHEMBL13429343 0.87 PRKAA2 (0.42) ROCK2ROCK1MCHR1KCNH2PRKAA2
SCHEMBL13429265 0.82 FLT3 (0.43) OPRM1KDM4EALDH1A1
SCHEMBL13429256 0.79 MAOA (0.44) L3MBTL1RAB9AKDM4EMEN1KMT2A
SCHEMBL13429347 0.79 LTA4H (0.43) ROCK2ROCK1MCHR1PRKAA2TLR9
SCHEMBL13428992 0.75 ACHE (0.51) DRD4BCHEACHEPRKAA2MEN1
SCHEMBL3216819 0.73 FLT3 (0.44) OPRM1TLR9TLR8TLR7KDM4E
SCHEMBL3217214 0.69 CYP1A2 (0.40) TLR9TLR8TLR7KDM4EALDH1A1
SCHEMBL13428972 0.69 GAA (0.44) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3214616 0.69 VCP (0.45) L3MBTL1KDM4EALDH1A1MEN1KMT2A

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 3 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
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 DRD4 3466/4885ROCK2 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.