SCHEMBL950898

SCHEMBL950898

Cc1ccc(Cn2cc(C(=O)Nc3c[nH]c(=O)c(-c4cc5ccccc5[nH]4)c3)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 13/20 0.45
RPS6KA3 P51812 3/20 0.42
RPS6KA2 Q15349 2/20 0.42
RPS6KA1 Q15418 2/20 0.42
RPS6KA6 Q9UK32 2/20 0.42
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
ITK Q08881 1/20 0.38

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 0.93 RPS6KA2 (0.46) KLKB1RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL951873 0.93 KMT2A (0.44) KLKB1RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL948355 0.92 KLKB1 (0.43) KLKB1RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL948091 0.92 ALDH1A1 (0.41) KLKB1RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL950985 0.90 ITK (0.44) RPS6KA3RPS6KA2MAPTALDH1A1ITK
SCHEMBL951550 0.90 KMT2A (0.40) KLKB1RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL951655 0.89 KLKB1 (0.43) KLKB1RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL948561 0.89 ITK (0.50) KLKB1RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL949397 0.88 KLKB1 (0.39) KLKB1RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL949207 0.87 SCD (0.44) KLKB1

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 9 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

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 2234/4885RPS6KA3 564/4885RPS6KA2 889/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B KLKB1 884/4885RPS6KA3 528/4885RPS6KA2 530/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 KLKB1 2234/4885RPS6KA3 564/4885RPS6KA2 889/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B KLKB1 884/4885RPS6KA3 528/4885RPS6KA2 530/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 KLKB1 1071/4885RPS6KA3 523/4885RPS6KA2 666/4885

“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.