SCHEMBL8400957

SCHEMBL8400957

CCCn1c(-c2c(C)nn(C)c2C)c(C=O)c2cc(OC)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.44
POLB P06746 2/20 0.43
DYRK1A Q13627 2/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR2 P34972 2/20 0.39
GRIK2 Q13002 2/20 0.39
GRIK1 P39086 1/20 0.39
PLA2G2A P14555 2/20 0.39
HASPIN Q8TF76 1/20 0.38
DYRK2 Q92630 1/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE5A O76074 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
SCHEMBL1429335 0.91 POLB (0.43) PTGER4POLBKDM4EHSD17B10GRIK2
SCHEMBL4327058 0.90 PIK3CA (0.47) PTGER4POLBDYRK1AKDM4EHSD17B10
SCHEMBL1430174 0.89 POLB (0.41) PTGER4POLBDYRK1AKDM4EHSD17B10
SCHEMBL1429618 0.86 POLB (0.41) PTGER4POLBKDM4EHSD17B10HASPIN
SCHEMBL8083407 0.86 POLB (0.39) PTGER4POLBDYRK1AKDM4EHSD17B10
SCHEMBL1429094 0.86 MYLK (0.45) PTGER4POLBDYRK1AKDM4EHSD17B10
SCHEMBL1428608 0.86 PIK3CA (0.49) PTGER4POLBCNR2PIK3CAMTOR
SCHEMBL1429475 0.86 PIK3CA (0.44) PTGER4POLBDYRK1AKDM4EHSD17B10
SCHEMBL1429426 0.85 PIK3CA (0.42) PTGER4POLBDYRK1AKDM4EHSD17B10
SCHEMBL1429818 0.85 KDM4E (0.43) PTGER4POLBKDM4ECNR2PIK3CA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 PTGER4 3329/4885POLB 4471/4885DYRK1A 457/4885

“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.