SCHEMBL1428706

SCHEMBL1428706

COc1ccc2c(c1)c(C=O)c(C1CC1)n2CCN1CCC(O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.42
PTGER4 P35408 1/20 0.41
PIK3CA P42336 3/20 0.41
MTOR P42345 3/20 0.41
PIK3CG P48736 3/20 0.41
MAOB P27338 1/20 0.40
HTR1A P08908 1/20 0.40
SLC6A4 P31645 1/20 0.40
CNR2 P34972 3/20 0.39
SIGMAR1 Q99720 4/20 0.39
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 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
SCHEMBL1429715 0.94 PLA2G2A (0.41) PLA2G2APTGER4PIK3CAMTORPIK3CG
SCHEMBL1428646 0.90 PIK3CA (0.47) PLA2G2APTGER4PIK3CAMTORPIK3CG
SCHEMBL1428993 0.88 PIK3CA (0.49) PTGER4PIK3CAMTORPIK3CGMAOB
SCHEMBL1429489 0.85 CNR2 (0.39) PTGER4PIK3CAMTORPIK3CGMAOB
SCHEMBL1429817 0.85 PLA2G2A (0.46) PLA2G2APTGER4PIK3CAMTORPIK3CG
SCHEMBL1429889 0.84 PLA2G2A (0.47) PLA2G2APTGER4MAOBCNR2
SCHEMBL1429158 0.82 PTGER4 (0.44) PLA2G2APTGER4CNR2
SCHEMBL1428924 0.82 PLA2G2A (0.45) PLA2G2APTGER4MAOBCNR2
SCHEMBL1428826 0.82 PIK3CA (0.46) PTGER4PIK3CAMTORPIK3CGCNR2
SCHEMBL1429118 0.81 PTGER4 (0.44) PLA2G2APTGER4CNR2

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 5 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 disclosed
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
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 (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 PLA2G2A 3780/4885PTGER4 3329/4885PIK3CA 4/4885
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 PLA2G2A 3227/4885PTGER4 2716/4885PIK3CA 5/4885

“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.