SCHEMBL948462

SCHEMBL948462

COc1ccc(Cn2cc(NC(=O)c3cc(-c4cc5ccccc5n4C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.41
SCD O00767 2/20 0.40
SCD5 Q86SK9 1/20 0.40
RPS6KA2 Q15349 10/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL948501 0.94 SCD (0.46) NR1H2SCDSCD5RPS6KA2
SCHEMBL949423 0.89 RPS6KA2 (0.46) NR1H2SCDSCD5RPS6KA2KDM4E
SCHEMBL12913242 0.89 KDM4E (0.36) NR1H2SCDSCD5RPS6KA2L3MBTL1
SCHEMBL935471 0.87 RPS6KA3 (0.45) NR1H2SCDSCD5RPS6KA2
SCHEMBL948198 0.85 SCD (0.48) SCDSCD5RPS6KA2
SCHEMBL12913232 0.85 KLKB1 (0.38) NR1H2SCDSCD5RPS6KA2L3MBTL1
SCHEMBL12913234 0.84 SCD (0.36) NR1H2SCDSCD5RPS6KA2
SCHEMBL948520 0.84 SCD (0.45) SCDSCD5RPS6KA2
SCHEMBL949114 0.83 NR1H2 (0.43) NR1H2RPS6KA2
SCHEMBL16369472 0.82 SCD (0.35) NR1H2SCDSCD5RPS6KA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS R&D LTD (GB) 2020-11-19 US disclosed
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD. (GB) 2020-06-30 US disclosed
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2018-08-30 US disclosed
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
EP-2294065-B1 INDOLYL-PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS R&D LTD (GB) 2014-03-19 EP disclosed
EP-2294065-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY Vernalis (R&D) Ltd. (GB) 2011-03-16 EP disclosed
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2011-01-27 US disclosed
WO-2009093012-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2009-07-30 WO 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 (6 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 NR1H2 2548/4885SCD 3802/4885SCD5 4304/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B NR1H2 3426/4885SCD 4494/4885SCD5 4167/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 NR1H2 2548/4885SCD 3802/4885SCD5 4304/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B NR1H2 3426/4885SCD 4494/4885SCD5 4167/4885
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B NR1H2 3426/4885SCD 4494/4885SCD5 4167/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 NR1H2 2742/4885SCD 4135/4885SCD5 4549/4885

“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.