SCHEMBL13429221

SCHEMBL13429221

CN(C)CCNC(=O)c1ccc(-c2cccc(Oc3cc(=O)[nH]c4ccccc34)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
IGF1R P08069 2/20 0.46
TLR9 Q9NR96 3/20 0.46
TLR8 Q9NR97 3/20 0.46
TLR7 Q9NYK1 3/20 0.46
MCHR1 Q99705 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
FYN P06241 2/20 0.43
PARP1 P09874 1/20 0.43
RAD52 P43351 1/20 0.42
HTR2C P28335 1/20 0.42
ALOX5 P09917 1/20 0.42
F2 P00734 1/20 0.41

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
SCHEMBL13429223 0.94 FYN (0.49) JAK2HPGDALDH1A1KDM4EHSD17B10
SCHEMBL13429222 0.89 KDM4E (0.51) HPGDALDH1A1KDM4EHSD17B10TLR8
SCHEMBL13429205 0.88 KDM4E (0.56) JAK2HPGDALDH1A1KDM4EHSD17B10
SCHEMBL3216980 0.88 ATM (0.49) IGF1RMCHR1
SCHEMBL13429299 0.85 MEN1 (0.43) HPGDALDH1A1KDM4EHSD17B10TLR9
SCHEMBL13429161 0.78 HPGD (0.54) HPGDALDH1A1KDM4EHSD17B10
SCHEMBL13429218 0.78 KDM4E (0.44) KDM4EROCK2
SCHEMBL13429224 0.77 MAPK1 (0.40) HPGDALDH1A1KDM4ETLR9TLR8
SCHEMBL3214163 0.77 KDM4E (0.48) HPGDALDH1A1KDM4E
SCHEMBL3227602 0.76 KMT2A (0.43) HPGDALDH1A1KDM4EROCK2

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 JAK2 64/4885HPGD 2472/4885ALDH1A1 2884/4885

“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.