SCHEMBL3211005

SCHEMBL3211005

O=C1/C(=C/c2c[nH]c3ccccc23)Oc2cccc(O)c21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.75
MTOR P42345 9/20 0.75
TYR P14679 3/20 0.57
PIK3CG P48736 5/20 0.55
PIM1 P11309 5/20 0.48
MAOB P27338 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL4318610 1.00 PIK3CA (0.75) PIK3CAMTORTYRPIK3CGPIM1
SCHEMBL1428840 1.00 PIK3CA (0.75) PIK3CAMTORTYRPIK3CGPIM1
SCHEMBL1428263 0.85 PIK3CA (0.77) PIK3CAMTORTYRPIK3CGPIM1
SCHEMBL4319669 0.85 PIK3CA (0.77) PIK3CAMTORTYRPIK3CGPIM1
SCHEMBL3227995 0.82 PIK3CA (0.58) PIK3CAMTORPIK3CGPIM1MAOB
SCHEMBL1429868 0.82 PIK3CA (0.58) PIK3CAMTORPIK3CGPIM1MAOB
SCHEMBL19462967 0.81 MAOB (0.63) PIK3CAMTORTYRPIM1MAOB
SCHEMBL1428628 0.81 MAOB (0.63) PIK3CAMTORTYRPIM1MAOB
SCHEMBL4330364 0.81 MAOB (0.63) PIK3CAMTORTYRPIM1MAOB
SCHEMBL1428510 0.78 PIK3CA (0.77) PIK3CAMTORTYRPIK3CGHDAC3

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-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
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 (2 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 PIK3CA 4/4885MTOR 1/4885TYR 490/4885
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 1/4885TYR 718/4885

“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.