SCHEMBL3229739

SCHEMBL3229739

COc1ccc2c(c1)c(C=O)c(C(=O)N(C)C)n2CCN1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.48
MTOR P42345 4/20 0.48
PIK3CG P48736 4/20 0.48
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
HTR6 P50406 7/20 0.42
PTGER4 P35408 1/20 0.41
KDM4E B2RXH2 3/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CNR2 P34972 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1429489 0.89 CNR2 (0.39) PIK3CAMTORPIK3CGPTGER4KDM4E
SCHEMBL3223388 0.85 HRH3 (0.39) PIK3CAMTORPIK3CGPTGER4KDM4E
SCHEMBL1429503 0.85 PTGER4 (0.44) PIK3CAMTORPIK3CGALDH1A1TSHR
SCHEMBL1429311 0.83 KDM4E (0.45) PIK3CAMTORPIK3CGPTGER4KDM4E
SCHEMBL1429752 0.83 KMT2A (0.54) PIK3CAMTORPIK3CGALDH1A1HTR6
SCHEMBL1429570 0.83 PIK3CA (0.48) PIK3CAMTORPIK3CGALDH1A1TSHR
SCHEMBL1428430 0.83 PIK3CA (0.59) PIK3CAMTORPIK3CGALDH1A1TSHR
SCHEMBL3223536 0.82 PTGER4 (0.44) ALDH1A1PTGER4KDM4EHSD17B10
SCHEMBL4322759 0.82 PIK3CA (0.49) PIK3CAMTORPIK3CGALDH1A1TSHR
SCHEMBL1428646 0.81 PIK3CA (0.47) PIK3CAMTORPIK3CGALDH1A1TSHR

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
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
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 1/4885PIK3CG 8/4885
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 1/4885PIK3CG 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.