SCHEMBL952292

SCHEMBL952292

O=C(Nc1c[nH]c(=O)c(-c2cc3cc(OCC4(CN5CCCC5)CC4)ccc3[nH]2)c1)c1cnn(Cc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.39
ALDH1A1 P00352 1/20 0.39
BUB1 O43683 4/20 0.38
RPS6KA2 Q15349 6/20 0.38
RPS6KA3 P51812 3/20 0.38
RPS6KA1 Q15418 1/20 0.38
RPS6KA6 Q9UK32 1/20 0.38
CHEK1 O14757 2/20 0.37
SCD O00767 2/20 0.35
SCD5 Q86SK9 2/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 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
SCHEMBL950220 0.89 ALDH1A1 (0.40) ALDH1A1BUB1RPS6KA2RPS6KA3RPS6KA1
SCHEMBL950608 0.89 KDR (0.51) KDRALDH1A1BUB1RPS6KA2RPS6KA3
SCHEMBL951371 0.88 KDR (0.53) KDRALDH1A1BUB1CHEK1ROCK2
SCHEMBL949731 0.88 ALDH1A1 (0.41) ALDH1A1BUB1RPS6KA2RPS6KA3RPS6KA1
SCHEMBL949783 0.88 KDR (0.48) KDRALDH1A1CHEK1ROCK2ROCK1
SCHEMBL951282 0.86 ALDH1A1 (0.40) KDRALDH1A1BUB1RPS6KA2RPS6KA3
SCHEMBL949819 0.86 CHEK1 (0.49) RPS6KA2RPS6KA3RPS6KA1RPS6KA6CHEK1
SCHEMBL948537 0.85 KDR (0.40) KDRALDH1A1BUB1RPS6KA2RPS6KA3
SCHEMBL950529 0.85 CHEK1 (0.51) RPS6KA2RPS6KA3RPS6KA1RPS6KA6CHEK1
SCHEMBL950171 0.84 KDR (0.48) KDRALDH1A1BUB1RPS6KA2RPS6KA3

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 KDR 1088/4885ALDH1A1 1004/4885BUB1 4/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B KDR 1813/4885ALDH1A1 1710/4885BUB1 4/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 KDR 1088/4885ALDH1A1 1004/4885BUB1 4/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B KDR 1813/4885ALDH1A1 1710/4885BUB1 4/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 KDR 1967/4885ALDH1A1 1503/4885BUB1 3/4885

“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.