SCHEMBL948561

SCHEMBL948561

O=C(Nc1c[nH]c(=O)c(-c2cc3ccccc3[nH]2)c1)c1cnn(Cc2cccc(Cl)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.50
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
NAMPT P43490 1/20 0.46
KLKB1 P03952 5/20 0.46
SCD5 Q86SK9 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RPS6KA3 P51812 2/20 0.41
RPS6KA2 Q15349 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
RPS6KA6 Q9UK32 1/20 0.41
CDC7 O00311 1/20 0.41
DAPK3 O43293 1/20 0.41
PAK4 O96013 1/20 0.41
CDK2 P24941 1/20 0.41
FLT3 P36888 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CLK2 P49760 1/20 0.41

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 0.94 RPS6KA2 (0.46) ITKKLKB1SCD5ALDH1A1RPS6KA3
SCHEMBL951873 0.93 KMT2A (0.44) ITKKMT2AMEN1MAPTLMNA
SCHEMBL949207 0.91 SCD (0.44) KLKB1SCD5
SCHEMBL948355 0.91 KLKB1 (0.43) ITKKLKB1ALDH1A1RPS6KA3RPS6KA2
SCHEMBL951655 0.89 KLKB1 (0.43) ITKKMT2AMEN1MAPTLMNA
SCHEMBL948091 0.89 ALDH1A1 (0.41) KMT2AMEN1MAPTLMNANAMPT
SCHEMBL950898 0.89 KLKB1 (0.45) ITKKMT2AMEN1MAPTLMNA
SCHEMBL948892 0.88 SCD5 (0.43) KMT2AMEN1MAPTKLKB1SCD5
SCHEMBL951550 0.87 KMT2A (0.40) ITKKMT2AMEN1MAPTLMNA
SCHEMBL949397 0.85 KLKB1 (0.39) ITKKMT2AMEN1MAPTLMNA

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 ITK 1044/4885KMT2A 1373/4885MEN1 582/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B ITK 594/4885KMT2A 1439/4885MEN1 1234/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 ITK 1044/4885KMT2A 1373/4885MEN1 582/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B ITK 594/4885KMT2A 1439/4885MEN1 1234/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 ITK 276/4885KMT2A 1636/4885MEN1 744/4885

“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.