SCHEMBL4144549

SCHEMBL4144549

COc1cccc2c1-c1cc3ccc(C(=O)O)cc3n1CC(=O)NC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 8/20 0.42
RPS6KA3 P51812 3/20 0.42
PTK2 Q05397 1/20 0.39
AKR1C3 P42330 2/20 0.37
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 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
SCHEMBL4161511 0.84 RPS6KA2 (0.42) RPS6KA2RPS6KA3PTK2KDM4EMEN1
SCHEMBL3092096 0.83 RPS6KA2 (0.45) RPS6KA2RPS6KA3AKR1C3KMT2APDE4D
SCHEMBL3073902 0.80 RPS6KA2 (0.41) RPS6KA2RPS6KA3AKR1C3KMT2APOLB
SCHEMBL3084506 0.79 KDM4E (0.44) RPS6KA2RPS6KA3AKR1C3KDM4EPOLB
SCHEMBL4144627 0.72 RPS6KA2 (0.39) RPS6KA2RPS6KA3
SCHEMBL4145557 0.71 SYK (0.43) RPS6KA2RPS6KA3
SCHEMBL3089903 0.70 RPS6KA2 (0.44) RPS6KA2RPS6KA3
SCHEMBL4143764 0.70 RPS6KA2 (0.40) RPS6KA2RPS6KA3
SCHEMBL3083810 0.69 RPS6KA3 (0.41) RPS6KA2RPS6KA3
SCHEMBL4139602 0.69 RPS6KA2 (0.38) RPS6KA2RPS6KA3

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 RPS6KA2 2578/4885RPS6KA3 1194/4885PTK2 4497/4885

“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.