SCHEMBL12913232

SCHEMBL12913232

COc1ccc2c(c1)cc(-c1cc(NC(=O)c3cnn(Cc4ccc(C)cc4)c3)cn(COCC[Si](C)(C)C)c1=O)n2C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 6/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RPS6KA2 Q15349 2/20 0.36
RPS6KA3 P51812 2/20 0.36
RPS6KA1 Q15418 1/20 0.36
RPS6KA6 Q9UK32 1/20 0.36
NR1H2 P55055 3/20 0.34
TAS2R8 Q9NYW2 3/20 0.34
DGAT1 O75907 1/20 0.33
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 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
SCHEMBL12913263 0.94 RPS6KA3 (0.38) KLKB1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL951107 0.93 RPS6KA2 (0.35) KLKB1L3MBTL1RPS6KA2RPS6KA3RPS6KA1
SCHEMBL950118 0.93 RPS6KA3 (0.37) KLKB1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL12913225 0.93 RPS6KA3 (0.37) KLKB1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL949414 0.91 RPS6KA3 (0.36) KLKB1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL949455 0.90 RPS6KA3 (0.35) KLKB1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL947809 0.90 RPS6KA2 (0.35) KLKB1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL948983 0.88 RPS6KA3 (0.37) KLKB1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL949457 0.88 RPS6KA3 (0.34) KLKB1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL949483 0.88 SCD (0.36) KLKB1L3MBTL1RPS6KA2RPS6KA3RPS6KA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2017-10-19 US disclosed
US-9604975-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2017-03-28 US disclosed
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD (GB) 2015-04-09 US disclosed
US-8916591-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2014-12-23 US disclosed
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2011-01-27 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 (3 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-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 KLKB1 2234/4885L3MBTL1 806/4885RPS6KA2 889/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 KLKB1 2234/4885L3MBTL1 806/4885RPS6KA2 889/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 KLKB1 1071/4885L3MBTL1 1181/4885RPS6KA2 666/4885

“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.