SCHEMBL4144600

SCHEMBL4144600

O=C(O)c1ccc2cc3n(c2c1)C(OCc1cccnn1)CNCc1ccccc1-3

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 13/20 0.32
RPS6KA3 P51812 3/20 0.32
PADI4 Q9UM07 1/20 0.31
SYK P43405 1/20 0.31
TBXA2R P21731 1/20 0.30
CYP11B2 P19099 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30

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
SCHEMBL4145558 0.91 SYK (0.40) RPS6KA2RPS6KA3SYK
SCHEMBL4143768 0.87 SYK (0.32) RPS6KA2RPS6KA3SYKTBXA2RGPBAR1
SCHEMBL4139604 0.86 RPS6KA2 (0.34) RPS6KA2RPS6KA3
SCHEMBL4146049 0.86 TBXAS1 (0.42) RPS6KA2RPS6KA3
SCHEMBL3092098 0.81 SRD5A2 (0.36) RPS6KA2RPS6KA3
SCHEMBL4144632 0.81 RPS6KA2 (0.34) RPS6KA2RPS6KA3TBXA2R
SCHEMBL3083812 0.76 RPS6KA2 (0.43) RPS6KA2RPS6KA3
SCHEMBL3081008 0.76 SRD5A2 (0.38) RPS6KA2RPS6KA3
SCHEMBL4144595 0.71 RPS6KA3 (0.36) RPS6KA2RPS6KA3SYKCYP11B2
SCHEMBL4144545 0.70 RPS6KA2 (0.36) 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 1194/4885PADI4 3765/4885

“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.