SCHEMBL15519936

SCHEMBL15519936

CCN(CCO)Cc1ccc2[nH]c(-c3c[c]c(C(N)=O)[nH]c3=O)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.39
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 2/20 0.36
FFAR1 O14842 6/20 0.36
PARP1 P09874 3/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
GUSB P08236 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PNP P00491 1/20 0.33

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
SCHEMBL15520684 0.93 CHEK1 (0.42) CHEK1KDM4EKMT2AMEN1TSHR
SCHEMBL15520164 0.89 CHEK1 (0.40) CHEK1KDM4EALDH1A1KMT2AHSD17B10
SCHEMBL4025698 0.85 CHEK1 (0.37) CHEK1KDM4EKMT2AMEN1TSHR
SCHEMBL15520769 0.83 CHEK1 (0.40) CHEK1TSHRFFAR1PARP1FFAR4
SCHEMBL16318358 0.81 KDR (0.49) CHEK1KDM4EHSD17B10FFAR1PARP1
SCHEMBL15519937 0.80 CHEK1 (0.36) CHEK1KDM4EALDH1A1KMT2AHSD17B10
SCHEMBL15520025 0.80 CHEK1 (0.42) CHEK1KDM4EALDH1A1FFAR1HPGD
SCHEMBL15520117 0.80 KDR (0.50) CHEK1KDM4EALDH1A1KMT2AHSD17B10
SCHEMBL15520638 0.79 CHEK1 (0.41) CHEK1KDM4EALDH1A1FFAR1FFAR4
SCHEMBL15519984 0.79 KDR (0.47) KDM4EALDH1A1HSD17B10HPGDALOX15

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 8 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-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2018-08-30 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

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 1/4885KDM4E 1287/4885ALDH1A1 1004/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B CHEK1 2/4885KDM4E 1198/4885ALDH1A1 1710/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 CHEK1 1/4885KDM4E 1287/4885ALDH1A1 1004/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B CHEK1 2/4885KDM4E 1198/4885ALDH1A1 1710/4885
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B CHEK1 2/4885KDM4E 1198/4885ALDH1A1 1710/4885

“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.