SCHEMBL8083407

SCHEMBL8083407

[C-]#[N+]CCCn1c(-c2c(C)nn(C)c2C)c(C=O)c2cc(OC)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
HASPIN Q8TF76 1/20 0.39
DYRK2 Q92630 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGER4 P35408 1/20 0.38
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PLA2G2A P14555 3/20 0.36
PIK3CA P42336 5/20 0.35
MTOR P42345 5/20 0.35
PIK3CG P48736 5/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL8400957 0.86 PTGER4 (0.44) POLBHASPINDYRK2KDM4EHSD17B10
SCHEMBL1429335 0.85 POLB (0.43) POLBHASPINDYRK2KDM4EHSD17B10
SCHEMBL1429094 0.85 MYLK (0.45) POLBHASPINDYRK2KDM4EHSD17B10
SCHEMBL4327058 0.85 PIK3CA (0.47) POLBHASPINKDM4EHSD17B10PTGER4
SCHEMBL1430174 0.84 POLB (0.41) POLBHASPINDYRK2KDM4EHSD17B10
SCHEMBL1428608 0.81 PIK3CA (0.49) POLBPTGER4PIK3CAMTORPIK3CG
SCHEMBL1429618 0.81 POLB (0.41) POLBHASPINDYRK2KDM4EHSD17B10
SCHEMBL1429475 0.81 PIK3CA (0.44) POLBHASPINKDM4EHSD17B10PTGER4
SCHEMBL1429818 0.80 KDM4E (0.43) POLBKDM4EPTGER4PIK3CAMTOR
SCHEMBL1429426 0.80 PIK3CA (0.42) POLBHASPINKDM4EHSD17B10PTGER4

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 POLB 4471/4885HASPIN 496/4885DYRK2 407/4885

“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.