SCHEMBL949145

SCHEMBL949145

O=C(Nc1c[nH]c(=O)c(-c2cc3cc(CN4CCOCC4)ccc3[nH]2)c1)c1cnn(Cc2ccc(Cl)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.51
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CDK7 P50613 4/20 0.46
KLKB1 P03952 1/20 0.44
AURKA O14965 1/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
F10 P00742 1/20 0.41
NTRK1 P04629 1/20 0.40

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
SCHEMBL947175 0.94 CHEK1 (0.51) CHEK1NPC1RAB9ACDK7KLKB1
SCHEMBL950081 0.94 CHEK1 (0.51) CHEK1CDK7KLKB1
SCHEMBL949464 0.94 CHEK1 (0.49) CHEK1KLKB1
SCHEMBL949408 0.93 CHEK1 (0.51) CHEK1KLKB1
SCHEMBL949179 0.92 CHEK1 (0.52) CHEK1CDK7
SCHEMBL952388 0.91 CHEK1 (0.48) CHEK1F10NTRK1
SCHEMBL12946168 0.91 CHEK1 (0.45) CHEK1F10
SCHEMBL948496 0.91 CHEK1 (0.46) CHEK1CDK7NTRK1
SCHEMBL949819 0.88 CHEK1 (0.49) CHEK1CDK7
SCHEMBL948841 0.87 CHEK1 (0.51) CHEK1KLKB1

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 CHEK1 1/4885NPC1 4503/4885RAB9A 3542/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B CHEK1 2/4885NPC1 4017/4885RAB9A 2143/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 CHEK1 1/4885NPC1 4503/4885RAB9A 3542/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B CHEK1 2/4885NPC1 4017/4885RAB9A 2143/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 CHEK1 1/4885NPC1 4696/4885RAB9A 3307/4885

“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.