SCHEMBL3220447

SCHEMBL3220447

O=c1cc(Oc2cccc(NCCc3cccnc3)c2)c2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 2/20 0.41
IDO1 P14902 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRAF P15056 2/20 0.39
APP P05067 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
MAPK10 P53779 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL3214639 0.90 SMN1; SMN2 (0.49) PTK6IDO1KDM4EALDH1A1NPC1
SCHEMBL7937526 0.85 ALDH1A1 (0.53) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL3222698 0.82 ALDH1A1 (0.43) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL13429262 0.81 F2 (0.46) PTK6KDM4ERAB9ASMN1; SMN2BRAF
SCHEMBL3213960 0.81 MEN1 (0.40) BRAFGAAMEN1KMT2A
SCHEMBL13429246 0.80 EPHX1 (0.48) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL3219003 0.80 BRAF (0.48) PTK6KDM4EBRAFAPPGAA
SCHEMBL3205934 0.79 LMNA (0.45) IDO1KDM4EALDH1A1HPGDHTT
SCHEMBL13429381 0.78 MEN1 (0.44) PTK6ALDH1A1RAB9AHPGDHTT
SCHEMBL3202341 0.77 HPGD (0.47) IDO1KDM4EALDH1A1NPC1RAB9A

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 PTK6 146/4885IDO1 2907/4885KDM4E 728/4885

“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.