SCHEMBL3225576

SCHEMBL3225576

CN1CCN(c2cccc(Oc3cc(=O)[nH]c4ccccc34)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR6 P50406 1/20 0.46
PRKCB P05771 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCH P24723 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCD Q05655 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 1/20 0.44
PDGFRB P09619 2/20 0.43
FGFR1 P11362 2/20 0.43
KDR P35968 2/20 0.43
FLT1 P17948 1/20 0.43
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42

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
SCHEMBL13429015 0.89 SMN1; SMN2 (0.54) KIF11ALDH1A1LMNASMN1; SMN2HTR6
SCHEMBL13429255 0.86 ALDH1A1 (0.46) KIF11ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL13429341 0.84 HTR1A (0.45) ALDH1A1LMNAMAPTKMT2A
SCHEMBL13429021 0.82 TNKS (0.52) TLR9TLR8TLR7
SCHEMBL13429202 0.82 TLR9 (0.45) KDM4ETLR9TLR8TLR7
SCHEMBL13429265 0.78 FLT3 (0.43) ALDH1A1HTR6KDM4EVCP
SCHEMBL13429069 0.77 CYP1A2 (0.53) ALDH1A1SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL13429074 0.77 ABCG2 (0.51) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL3224936 0.77 MAOB (0.47) ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL13429232 0.77 KIF11 (0.47) KIF11ALDH1A1LMNASMN1; SMN2KDM4E

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
WO-2010030967-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH LLC (US) 2010-03-18 WO 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
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 2758/4885ALDH1A1 2884/4885LMNA 4098/4885

“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.