SCHEMBL15520641

SCHEMBL15520641

CC(c1ccc(F)cc1)n1cc(C(=O)O)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.44
EGLN1 Q9GZT9 2/20 0.44
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
CREBBP Q92793 3/20 0.42
ALKBH1 Q13686 2/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
KLKB1 P03952 1/20 0.41
HPGDS O60760 1/20 0.40
ALKBH2 Q6NS38 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL27364241 0.88 ACHE (0.44) ACHECREBBPKLKB1
SCHEMBL27364239 0.88 ACHE (0.44) ACHECREBBPKLKB1
SCHEMBL949676 0.86 CREBBP (0.55) ACHEEGLN1CREBBPALKBH1KDM5A
SCHEMBL12913216 0.86 CREBBP (0.55) ACHEEGLN1CREBBPALKBH1KDM5A
SCHEMBL947911 0.86 CREBBP (0.55) ACHEEGLN1CREBBPALKBH1KDM5A
SCHEMBL24208620 0.85 ACHE (0.47) ACHEEGLN1CREBBPKLKB1
SCHEMBL16323742 0.77 ALKBH2 (0.44) ACHEEGLN1CREBBPALKBH1HPGDS
SCHEMBL24783581 0.76 CYP17A1 (0.43) ACHECREBBP
SCHEMBL26509021 0.76 CYP17A1 (0.43) ACHECREBBP
SCHEMBL24783582 0.76 CYP17A1 (0.43) ACHECREBBP

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-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

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 ACHE 3023/4885EGLN1 1873/4885BCL2L1 1485/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B ACHE 3907/4885EGLN1 3279/4885BCL2L1 1904/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 ACHE 3023/4885EGLN1 1873/4885BCL2L1 1485/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B ACHE 3907/4885EGLN1 3279/4885BCL2L1 1904/4885
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B ACHE 3907/4885EGLN1 3279/4885BCL2L1 1904/4885

“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.