SCHEMBL3959693

SCHEMBL3959693

COc1ccc2c(c1)c(/C=C1\Oc3cc(O)ccc3C1=O)c1n2CCNC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.52
PTGS2 P35354 2/20 0.50
TYR P14679 2/20 0.50
PIK3CA P42336 8/20 0.47
MTOR P42345 8/20 0.47
PIK3CG P48736 8/20 0.47
MAOB P27338 3/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3959698 1.00 KIT (0.52) KITPTGS2TYRPIK3CAMTOR
SCHEMBL3953984 0.87 PIK3CA (0.64) PIK3CAMTORPIK3CG
SCHEMBL3953978 0.87 PIK3CA (0.64) PIK3CAMTORPIK3CG
SCHEMBL4049160 0.87 KIT (0.55) KITPTGS2TYRPIK3CAMTOR
SCHEMBL4049163 0.87 KIT (0.55) KITPTGS2TYRPIK3CAMTOR
SCHEMBL4047856 0.80 KIT (0.53) KITPTGS2TYRPIK3CAMTOR
SCHEMBL4047858 0.80 KIT (0.53) KITPTGS2TYRPIK3CAMTOR
SCHEMBL1429123 0.76 PIK3CA (0.69) KITPIK3CAMTORPIK3CGMAOB
SCHEMBL4317556 0.76 PIK3CA (0.69) KITPIK3CAMTORPIK3CGMAOB
SCHEMBL4329992 0.76 PIK3CA (0.69) PIK3CAMTORPIK3CGMAOB

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-2009097515-A2 [A]-FUSED INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 WO claimed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US claimed
WO-2009097515-A2 [A]-FUSED INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 WO disclosed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 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-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PIK3C2A KIT 1031/4885PTGS2 1427/4885TYR 785/4885

“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.