SCHEMBL1429022

SCHEMBL1429022

COc1ccc2c(c1)c(C=O)c(-c1c(C)noc1C)n2CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.41
PTGER4 P35408 1/20 0.40
ERN1 O75460 2/20 0.40
P2RX3 P56373 1/20 0.39
EP300 Q09472 1/20 0.39
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
PIK3CG P48736 2/20 0.39
CREBBP Q92793 4/20 0.38
BRD2 P25440 2/20 0.38
BRD3 Q15059 2/20 0.38
LMNA P02545 3/20 0.37
USP2 O75604 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
CYP2C19 P33261 2/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL1429612 0.86 PIK3CA (0.48) BRD4PIK3CAMTORPIK3CGCREBBP
SCHEMBL1429120 0.83 CYP24A1 (0.39) BRD4PTGER4ERN1P2RX3EP300
SCHEMBL1429241 0.82 NPC1 (0.46) BRD4PTGER4P2RX3EP300CREBBP
SCHEMBL1429306 0.78 KDM4E (0.50) PTGER4PIK3CAMTORPIK3CG
SCHEMBL1429050 0.77 PTGER4 (0.43) PTGER4ERN1ALDH1A1
SCHEMBL1429168 0.76 ERN1 (0.42) PTGER4ERN1EP300PIK3CAMTOR
SCHEMBL1429618 0.75 POLB (0.41) PTGER4PIK3CAMTORPIK3CGALDH1A1
SCHEMBL8400957 0.73 PTGER4 (0.44) PTGER4PIK3CAMTORPIK3CG
SCHEMBL1429817 0.73 PLA2G2A (0.46) PTGER4PIK3CAMTORPIK3CGALDH1A1
SCHEMBL1429335 0.73 POLB (0.43) PTGER4PIK3CAMTORPIK3CGLMNA

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 BRD4 596/4885PTGER4 3329/4885ERN1 894/4885
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 BRD4 429/4885PTGER4 2716/4885ERN1 1105/4885

“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.