SCHEMBL1430101

SCHEMBL1430101

COc1ccc2c(c1)c(C=O)c(C)n2CCCN1CCCC1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.47
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PIK3CA P42336 3/20 0.42
MTOR P42345 3/20 0.42
PIK3CG P48736 3/20 0.42
SIGMAR1 Q99720 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL1429649 0.94 HRH3 (0.49) HRH3KDM4EMAOAMAOBPIK3CA
SCHEMBL1429416 0.84 PIK3CA (0.49) HRH3KDM4EHSD17B10PIK3CAMTOR
SCHEMBL1429711 0.83 PIK3CA (0.52) KDM4EHSD17B10MAOAMAOBPIK3CA
SCHEMBL1429372 0.82 PIK3CA (0.51) KDM4EHSD17B10MAOAMAOBPIK3CA
SCHEMBL1429747 0.82 PIK3CA (0.51) KDM4EHSD17B10MAOAMAOBPIK3CA
SCHEMBL1429338 0.79 PIK3CA (0.48) KDM4EHSD17B10PIK3CAMTORPIK3CG
SCHEMBL4318512 0.79 PIK3CA (0.59) MAOBPIK3CAMTORPIK3CG
SCHEMBL1429017 0.79 PIK3CA (0.51) KDM4EHSD17B10PIK3CAMTORPIK3CG
SCHEMBL1429332 0.78 KDM4E (0.51) KDM4EHSD17B10MAOAMAOBPIK3CA
SCHEMBL1429138 0.78 PIK3CA (0.50) KDM4EHSD17B10PIK3CAMTORPIK3CG

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 HRH3 1676/4885KDM4E 777/4885HSD17B10 1848/4885
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 HRH3 1946/4885KDM4E 786/4885HSD17B10 2624/4885

“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.