SCHEMBL950799

SCHEMBL950799

O=C(Nc1c[nH]c(=O)c(-c2cc3ccccc3[nH]2)c1)c1cnn(CCCc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA2 Q15349 2/20 0.40
▸ ROCK1 Q13464 4/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ITK Q08881 2/20 0.38
▸ RPS6KA3 P51812 2/20 0.37
▸ RPS6KA1 Q15418 1/20 0.37
▸ RPS6KA6 Q9UK32 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDR P35968 2/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ SSTR4 P31391 1/20 0.35
▸ SSTR3 P32745 1/20 0.35
▸ TSSK1B Q9BXA7 1/20 0.35

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
SCHEMBL947957 0.90 RPS6KA2 (0.46) RPS6KA2ITKRPS6KA3RPS6KA1RPS6KA6
SCHEMBL13770100 0.86 ROCK1 (0.39) RPS6KA2ROCK1ROCK2ITKKDR
SCHEMBL951873 0.84 KMT2A (0.44) RPS6KA2ITKRPS6KA3RPS6KA1RPS6KA6
SCHEMBL949207 0.84 SCD (0.44) —
SCHEMBL948561 0.84 ITK (0.50) RPS6KA2ITKRPS6KA3RPS6KA1RPS6KA6
SCHEMBL948355 0.84 KLKB1 (0.43) RPS6KA2ITKRPS6KA3RPS6KA1RPS6KA6
SCHEMBL950898 0.84 KLKB1 (0.45) RPS6KA2ITKRPS6KA3RPS6KA1RPS6KA6
SCHEMBL948091 0.84 ALDH1A1 (0.41) RPS6KA2ROCK2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL951655 0.82 KLKB1 (0.43) RPS6KA2ROCK1ITKRPS6KA3RPS6KA1
SCHEMBL948892 0.82 SCD5 (0.43) RPS6KA2RPS6KA3RPS6KA1RPS6KA6SMN1; SMN2

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 8 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
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 889/4885ROCK1 841/4885ROCK2 1698/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B RPS6KA2 530/4885ROCK1 715/4885ROCK2 1038/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 RPS6KA2 889/4885ROCK1 841/4885ROCK2 1698/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B RPS6KA2 530/4885ROCK1 715/4885ROCK2 1038/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 RPS6KA2 666/4885ROCK1 920/4885ROCK2 1382/4885

“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.

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