SCHEMBL949097

SCHEMBL949097

CN(C)CC(C)(C)Oc1ccc2[nH]c(-c3cc(NC(=O)c4cnn(Cc5ccccc5)c4)c[nH]c3=O)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 6/20 0.40
RPS6KA3 P51812 3/20 0.40
RPS6KA1 Q15418 2/20 0.40
RPS6KA6 Q9UK32 2/20 0.40
ALDH1A1 P00352 1/20 0.39
SCD5 Q86SK9 3/20 0.38
SCD O00767 3/20 0.38
KLKB1 P03952 3/20 0.38
BUB1 O43683 4/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL31060778 0.91 ALDH1A1 (0.41) RPS6KA2RPS6KA3RPS6KA1RPS6KA6ALDH1A1
SCHEMBL950079 0.91 ALDH1A1 (0.41) RPS6KA2RPS6KA3RPS6KA1RPS6KA6ALDH1A1
SCHEMBL15520241 0.90 SCD (0.35) ALDH1A1SCD5SCDKLKB1KDM4E
SCHEMBL949993 0.88 KDR (0.43) RPS6KA2RPS6KA3RPS6KA1RPS6KA6ALDH1A1
SCHEMBL13769820 0.88 KLKB1 (0.35) KLKB1BUB1
SCHEMBL986116 0.87 ALDH1A1 (0.45) RPS6KA2RPS6KA3RPS6KA1RPS6KA6ALDH1A1
SCHEMBL950481 0.85 ALDH1A1 (0.42) RPS6KA2RPS6KA3RPS6KA1RPS6KA6ALDH1A1
SCHEMBL948816 0.85 RPS6KA2 (0.38) RPS6KA2RPS6KA3RPS6KA1RPS6KA6ALDH1A1
SCHEMBL950040 0.85 KLKB1 (0.36) RPS6KA2RPS6KA3RPS6KA1RPS6KA6ALDH1A1
SCHEMBL950220 0.84 ALDH1A1 (0.40) RPS6KA2RPS6KA3RPS6KA1RPS6KA6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2011-01-27 US claimed
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-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
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 (5 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 RPS6KA2 889/4885RPS6KA3 564/4885RPS6KA1 460/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B RPS6KA2 530/4885RPS6KA3 528/4885RPS6KA1 371/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 RPS6KA2 889/4885RPS6KA3 564/4885RPS6KA1 460/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B RPS6KA2 530/4885RPS6KA3 528/4885RPS6KA1 371/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 RPS6KA2 666/4885RPS6KA3 523/4885RPS6KA1 485/4885

“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.