SCHEMBL950236

SCHEMBL950236

CC(C)(COc1ccc2[nH]c(-c3cc(NC(=O)c4cnn(Cc5ccccc5)c4)c[nH]c3=O)cc2c1)CN1CCC(F)(F)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 9/20 0.37
ALDH1A1 P00352 1/20 0.37
BUB1 O43683 4/20 0.37
RPS6KA3 P51812 3/20 0.36
RPS6KA1 Q15418 2/20 0.36
RPS6KA6 Q9UK32 2/20 0.36
WNT1 P04628 3/20 0.36
DYRK1A Q13627 3/20 0.36
CLK2 P49760 2/20 0.36
CLK3 P49761 2/20 0.36
AURKA O14965 1/20 0.35
ITK Q08881 1/20 0.35
SCD O00767 1/20 0.34
SCD5 Q86SK9 1/20 0.34

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
SCHEMBL951282 0.91 ALDH1A1 (0.40) RPS6KA2ALDH1A1BUB1RPS6KA3RPS6KA1
SCHEMBL948537 0.90 KDR (0.40) RPS6KA2ALDH1A1BUB1RPS6KA3RPS6KA1
SCHEMBL949594 0.89 CHEK1 (0.39) RPS6KA2ALDH1A1BUB1RPS6KA3RPS6KA1
SCHEMBL951181 0.89 RPS6KA2 (0.38) RPS6KA2ALDH1A1BUB1RPS6KA3RPS6KA1
SCHEMBL12946381 0.89 RPS6KA2 (0.38) RPS6KA2ALDH1A1BUB1RPS6KA3RPS6KA1
SCHEMBL950481 0.85 ALDH1A1 (0.42) RPS6KA2ALDH1A1BUB1RPS6KA3RPS6KA1
SCHEMBL950079 0.85 ALDH1A1 (0.41) RPS6KA2ALDH1A1BUB1RPS6KA3RPS6KA1
SCHEMBL31060778 0.85 ALDH1A1 (0.41) RPS6KA2ALDH1A1BUB1RPS6KA3RPS6KA1
SCHEMBL951056 0.84 CHEK1 (0.43) RPS6KA2BUB1RPS6KA3RPS6KA1RPS6KA6
SCHEMBL15520680 0.82 KDR (0.38) ALDH1A1AURKASCDSCD5

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 RPS6KA2 889/4885ALDH1A1 1004/4885BUB1 4/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B RPS6KA2 530/4885ALDH1A1 1710/4885BUB1 4/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 RPS6KA2 889/4885ALDH1A1 1004/4885BUB1 4/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B RPS6KA2 530/4885ALDH1A1 1710/4885BUB1 4/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 RPS6KA2 666/4885ALDH1A1 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.