SCHEMBL951027

SCHEMBL951027

Cc1ccc(Cn2cc(C(=O)Nc3c[nH]c(=O)c(-c4cc5cc(CN(C)CCO)ccc5[nH]4)c3)cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 12/20 0.38
CHEK1 O14757 4/20 0.35
RPS6KA3 P51812 2/20 0.35
RPS6KA2 Q15349 1/20 0.35
RPS6KA1 Q15418 1/20 0.35
RPS6KA6 Q9UK32 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL948893 0.89 KLKB1 (0.40) KLKB1CHEK1RPS6KA3RPS6KA2RPS6KA1
SCHEMBL949615 0.89 RPS6KA2 (0.40) KLKB1RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL951005 0.88 KDR (0.41) KLKB1CHEK1RPS6KA3RPS6KA2RPS6KA1
SCHEMBL951161 0.87 KLKB1 (0.41) KLKB1CHEK1RPS6KA3RPS6KA2RPS6KA1
SCHEMBL12946245 0.86 CHEK1 (0.48) CHEK1
SCHEMBL15580585 0.86 KLKB1 (0.37) KLKB1CHEK1RPS6KA3RPS6KA2RPS6KA1
SCHEMBL949246 0.86 SMN1; SMN2 (0.38) KLKB1CHEK1RPS6KA3RPS6KA2RPS6KA1
SCHEMBL947608 0.86 RPS6KA2 (0.41) RPS6KA3RPS6KA2RPS6KA1RPS6KA6ALDH1A1
SCHEMBL948711 0.85 KDR (0.40) KLKB1ALDH1A1L3MBTL1
SCHEMBL949532 0.85 CHEK1 (0.47) KLKB1CHEK1

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 KLKB1 2234/4885CHEK1 1/4885RPS6KA3 564/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B KLKB1 884/4885CHEK1 2/4885RPS6KA3 528/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 KLKB1 2234/4885CHEK1 1/4885RPS6KA3 564/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B KLKB1 884/4885CHEK1 2/4885RPS6KA3 528/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 KLKB1 1071/4885CHEK1 1/4885RPS6KA3 523/4885

“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.