SCHEMBL4144595

SCHEMBL4144595

O=C(O)c1ccc2cc3n(c2c1)CCNCc1cccc(OCc2cccnn2)c1-3

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 9/20 0.36
MAPKAPK2 P49137 2/20 0.36
RPS6KA2 Q15349 10/20 0.36
CYP11B2 P19099 1/20 0.34
SYK P43405 2/20 0.34
MGLL Q99685 1/20 0.34
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL4145557 0.90 SYK (0.43) RPS6KA3RPS6KA2SYKKDM5CKDM4C
SCHEMBL4143764 0.87 RPS6KA2 (0.40) RPS6KA3MAPKAPK2RPS6KA2SYKKDM5C
SCHEMBL4139602 0.87 RPS6KA2 (0.38) RPS6KA3MAPKAPK2RPS6KA2
SCHEMBL4146046 0.86 RPS6KA3 (0.42) RPS6KA3MAPKAPK2RPS6KA2KDM4C
SCHEMBL4144627 0.83 RPS6KA2 (0.39) RPS6KA3MAPKAPK2RPS6KA2
SCHEMBL3092096 0.81 RPS6KA2 (0.45) RPS6KA3RPS6KA2
SCHEMBL3083810 0.77 RPS6KA3 (0.41) RPS6KA3MAPKAPK2RPS6KA2
SCHEMBL3081006 0.77 RPS6KA2 (0.41) RPS6KA3MAPKAPK2RPS6KA2
SCHEMBL3079143 0.73 GPR84 (0.42) RPS6KA3RPS6KA2SYK
SCHEMBL3092044 0.72 RPS6KA2 (0.43) RPS6KA3MAPKAPK2RPS6KA2

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-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-05-28 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-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 RPS6KA3 1194/4885MAPKAPK2 4465/4885RPS6KA2 2578/4885

“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.