SCHEMBL4017203

SCHEMBL4017203

CCc1cccc(Cn2cc(C(=O)O)cn2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
POLB P06746 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HTT P42858 1/20 0.53
BCL2 P10415 1/20 0.51
HSD17B10 Q99714 1/20 0.49
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KLKB1 P03952 8/20 0.44
ALK Q9UM73 1/20 0.43
SCD O00767 1/20 0.43
SCD5 Q86SK9 1/20 0.43
CREBBP Q92793 1/20 0.42

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
SCHEMBL15154988 0.86 L3MBTL1 (0.60) L3MBTL1POLBTDP1HTTHSD17B10
SCHEMBL19116359 0.85 TDP1 (0.70) L3MBTL1POLBTDP1HTTBCL2
SCHEMBL27435793 0.84 L3MBTL1 (0.61) L3MBTL1POLBTDP1HTTHSD17B10
SCHEMBL30730185 0.84 POLB (0.62) L3MBTL1POLBTDP1HTTKDM4E
SCHEMBL553830 0.84 L3MBTL1 (0.62) L3MBTL1POLBTDP1HTTHSD17B10
SCHEMBL951879 0.83 POLB (0.60) L3MBTL1POLBTDP1HTTHSD17B10
SCHEMBL14692463 0.83 L3MBTL1 (0.71) L3MBTL1POLBTDP1HTTHSD17B10
SCHEMBL15154992 0.83 KMT2A (0.68) L3MBTL1POLBTDP1KDM4EMEN1
SCHEMBL243561 0.83 POLB (0.56) L3MBTL1POLBTDP1HTTHSD17B10
SCHEMBL27364039 0.82 L3MBTL1 (0.70) L3MBTL1POLBTDP1HTTHSD17B10

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 11 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
CN-101970424-B Indolylpyridone derivatives with checkpoint kinase 1 inhibitory activity VERNALIS R&D LTD 2013-06-12 CN disclosed
CN-101970424-A Indolylpyridone derivatives with checkpoint kinase 1 inhibitory activity VERNALIS R&D LTD 2011-02-09 CN 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 L3MBTL1 806/4885POLB 826/4885TDP1 377/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B L3MBTL1 1632/4885POLB 1630/4885TDP1 609/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 L3MBTL1 806/4885POLB 826/4885TDP1 377/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B L3MBTL1 1632/4885POLB 1630/4885TDP1 609/4885
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B L3MBTL1 1632/4885POLB 1630/4885TDP1 609/4885

“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.