SCHEMBL950720

SCHEMBL950720

O=C(Nc1c[nH]c(=O)c(-c2cc3cc(CN4CC[C@@H](F)C4)ccc3[nH]2)c1)c1cnn(Cc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.47
RPS6KA2 Q15349 5/20 0.41
RPS6KA3 P51812 3/20 0.41
RPS6KA1 Q15418 2/20 0.41
RPS6KA6 Q9UK32 2/20 0.41
BUB1 O43683 1/20 0.38
SCD O00767 1/20 0.38
SCD5 Q86SK9 1/20 0.38
ROCK2 O75116 2/20 0.37
NAMPT P43490 2/20 0.37

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
SCHEMBL951004 1.00 CHEK1 (0.47) CHEK1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL949466 0.97 CHEK1 (0.44) CHEK1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL948800 0.96 CHEK1 (0.52) CHEK1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL949675 0.92 CHEK1 (0.45) CHEK1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL952045 0.91 CHEK1 (0.44) CHEK1ROCK2
SCHEMBL13770021 0.91 CHEK1 (0.43) CHEK1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL949607 0.91 RPS6KA2 (0.45) CHEK1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL12946253 0.91 HDAC1 (0.44) CHEK1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL948987 0.90 CHEK1 (0.52) CHEK1
SCHEMBL949179 0.90 CHEK1 (0.52) CHEK1

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 10 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-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
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
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 (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 CHEK1 1/4885RPS6KA2 889/4885RPS6KA3 564/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B CHEK1 2/4885RPS6KA2 530/4885RPS6KA3 528/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 CHEK1 1/4885RPS6KA2 889/4885RPS6KA3 564/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B CHEK1 2/4885RPS6KA2 530/4885RPS6KA3 528/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 CHEK1 1/4885RPS6KA2 666/4885RPS6KA3 523/4885

“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.