SCHEMBL3207191

SCHEMBL3207191

COc1ccc2[nH]c(-c3ccccc3)c(/C=C3\Oc4cc(OC(=O)N(c5ccccc5)c5ccccc5)ccc4C3=O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.60
MTOR P42345 6/20 0.60
PIK3CG P48736 4/20 0.60
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
MAOB P27338 3/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
PTGS2 P35354 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 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
SCHEMBL3207201 1.00 PIK3CA (0.60) PIK3CAMTORPIK3CGRAB9ANPC1
SCHEMBL3215046 0.92 PIK3CA (0.62) PIK3CAMTORPIK3CGRAB9ANPC1
SCHEMBL3215034 0.92 PIK3CA (0.62) PIK3CAMTORPIK3CGRAB9ANPC1
SCHEMBL13458431 0.89 PIK3CA (0.70) PIK3CAMTORPIK3CGRAB9ANPC1
SCHEMBL3207049 0.88 PIK3CA (0.64) PIK3CAMTORPIK3CGRAB9ANPC1
SCHEMBL3207042 0.88 PIK3CA (0.64) PIK3CAMTORPIK3CGRAB9ANPC1
SCHEMBL3216077 0.88 PIK3CA (0.64) PIK3CAMTORPIK3CGMTNR1AMTNR1B
SCHEMBL3216084 0.88 PIK3CA (0.64) PIK3CAMTORPIK3CGMTNR1AMTNR1B
SCHEMBL3216096 0.88 PIK3CA (0.63) PIK3CAMTORPIK3CGRAB9ANPC1
SCHEMBL3216108 0.88 PIK3CA (0.63) PIK3CAMTORPIK3CGRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 US claimed
WO-2010030727-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-03-18 WO disclosed
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 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-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PDPK1, RICTOR PIK3CA 5/4885MTOR 1/4885PIK3CG 10/4885

“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.