SCHEMBL949119

SCHEMBL949119

O=C(Nc1cnn(Cc2ccccc2F)c1)c1c[nH]c(=O)c(-c2cc3ccccc3[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 7/20 0.48
SCD O00767 4/20 0.48
RPS6KA2 Q15349 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ITK Q08881 3/20 0.38
TAS2R8 Q9NYW2 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
NTRK1 P04629 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RIPK1 Q13546 1/20 0.37
MET P08581 1/20 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
SCHEMBL947618 0.90 RPS6KA2 (0.49) RPS6KA2KDM4ETAS2R8SMN1; SMN2
SCHEMBL948498 0.89 SCD (0.47) SCD5SCDRPS6KA2ITKSMN1; SMN2
SCHEMBL948351 0.89 ITK (0.42) SCD5SCDRPS6KA2ITK
SCHEMBL949043 0.89 ALDH1A1 (0.47) SCD5SCDKDM4EITKSMN1; SMN2
SCHEMBL952163 0.88 ITK (0.51) SCD5SCDRPS6KA2ITK
SCHEMBL949773 0.87 SCD (0.50) SCD5SCD
SCHEMBL952360 0.87 SCD5 (0.40) SCD5SCDRPS6KA2ITKTAS2R8
SCHEMBL949166 0.86 ITK (0.40) SCD5SCDRPS6KA2ITKSMN1; SMN2
SCHEMBL950895 0.86 SMN1; SMN2 (0.49) SCD5SCDRPS6KA2KDM4EITK
SCHEMBL949336 0.86 RPS6KA2 (0.46) SCD5SCDRPS6KA2ITK

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 SCD5 4304/4885SCD 3802/4885RPS6KA2 889/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B SCD5 4167/4885SCD 4494/4885RPS6KA2 530/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 SCD5 4304/4885SCD 3802/4885RPS6KA2 889/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B SCD5 4167/4885SCD 4494/4885RPS6KA2 530/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 SCD5 4549/4885SCD 4135/4885RPS6KA2 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.