SCHEMBL949475

SCHEMBL949475

O=C(Nc1cnn(Cc2cccnc2)c1)c1c[nH]c(=O)c(-c2cc3ccccc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SCD5 Q86SK9 4/20 0.42
SCD O00767 2/20 0.42
RPS6KA2 Q15349 10/20 0.42
IDO1 P14902 1/20 0.41
RPS6KA3 P51812 1/20 0.41

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
SCHEMBL952163 0.93 ITK (0.51) ITKALDH1A1SCD5SCDRPS6KA2
SCHEMBL949336 0.92 RPS6KA2 (0.46) ITKALDH1A1SCD5SCDRPS6KA2
SCHEMBL950895 0.89 SMN1; SMN2 (0.49) ITKALDH1A1SCD5SCDRPS6KA2
SCHEMBL18674033 0.88 ITK (0.44) ITKALDH1A1SCD5SCDRPS6KA2
SCHEMBL949773 0.88 SCD (0.50) SCD5SCD
SCHEMBL950523 0.88 TAS2R8 (0.46) ITKALDH1A1SCD5SCDRPS6KA2
SCHEMBL950985 0.88 ITK (0.44) ITKALDH1A1SCD5SCDRPS6KA2
SCHEMBL948351 0.88 ITK (0.42) ITKALDH1A1SCD5SCDRPS6KA2
SCHEMBL949043 0.88 ALDH1A1 (0.47) ITKALDH1A1SCD5SCD
SCHEMBL949166 0.87 ITK (0.40) ITKALDH1A1SCD5SCDRPS6KA2

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-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
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 ITK 1044/4885ALDH1A1 1004/4885SCD5 4304/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B ITK 594/4885ALDH1A1 1710/4885SCD5 4167/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 ITK 1044/4885ALDH1A1 1004/4885SCD5 4304/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B ITK 594/4885ALDH1A1 1710/4885SCD5 4167/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 ITK 276/4885ALDH1A1 1503/4885SCD5 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.