SCHEMBL1429246

SCHEMBL1429246

Cc1ccc2c(C=C3Oc4cc(O)ccc4C3=O)c[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.60
TYR P14679 4/20 0.56
MAOB P27338 5/20 0.54
MAOA P21397 5/20 0.54
CISD1 Q9NZ45 2/20 0.54
PIK3CA P42336 2/20 0.52
MTOR P42345 2/20 0.52
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KIT P10721 1/20 0.48
PTGS2 P35354 1/20 0.48
ELANE P08246 1/20 0.48
RECQL P46063 2/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.48
PSMD14 O00487 1/20 0.48
AURKA O14965 1/20 0.48

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
SCHEMBL4325371 1.00 HASPIN (0.60) HASPINTYRMAOBMAOACISD1
SCHEMBL1428573 0.85 MAOB (0.50) HASPINTYRMAOBMAOACISD1
SCHEMBL4332856 0.85 MAOB (0.50) HASPINTYRMAOBMAOACISD1
SCHEMBL29516892 0.85 PIK3CA (0.70) HASPINTYRMAOBMAOACISD1
SCHEMBL14735399 0.85 PIK3CA (0.70) HASPINTYRMAOBMAOACISD1
SCHEMBL29516830 0.85 PIK3CA (0.70) HASPINTYRMAOBMAOACISD1
SCHEMBL6964349 0.85 PIK3CA (0.70) HASPINTYRMAOBMAOACISD1
SCHEMBL1429292 0.83 PIK3CA (0.74) TYRMAOBMAOAPIK3CAMTOR
SCHEMBL4325020 0.83 PIK3CA (0.74) TYRMAOBMAOAPIK3CAMTOR
SCHEMBL1428596 0.80 PIK3CA (0.72) HASPINTYRMAOBMAOACISD1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP claimed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO claimed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US claimed
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP disclosed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 HASPIN 496/4885TYR 490/4885MAOB 979/4885

“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.