SCHEMBL4019065

SCHEMBL4019065

CC(C)(C)c1ccc(Cn2cc(C(=O)O)cn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.51
NR1H4 Q96RI1 3/20 0.49
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
EPHX2 P34913 1/20 0.47
LMNA P02545 1/20 0.46
NR4A2 P43354 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
EGLN1 Q9GZT9 1/20 0.45
SRD5A2 P31213 1/20 0.45
PLAU P00749 1/20 0.45
ELANE P08246 1/20 0.45
CCR9 P51686 3/20 0.44
KLKB1 P03952 2/20 0.44

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
SCHEMBL4018058 0.86 HSD17B10 (0.57) HSD17B10L3MBTL1POLBTDP1KDM4E
SCHEMBL1912400 0.85 HSD17B10 (0.77) HSD17B10L3MBTL1POLBTDP1KDM4E
SCHEMBL948453 0.84 HSD17B10 (0.61) HSD17B10L3MBTL1POLBTDP1KDM4E
SCHEMBL19299982 0.83 HSD17B10 (0.65) HSD17B10L3MBTL1POLBTDP1KDM4E
SCHEMBL16246805 0.82 KLKB1 (0.62) HSD17B10L3MBTL1POLBTDP1KDM4E
SCHEMBL4019778 0.82 HSD17B10 (0.72) HSD17B10L3MBTL1POLBTDP1KDM4E
SCHEMBL18816489 0.82 HSD17B10 (0.63) HSD17B10L3MBTL1POLBTDP1KDM4E
SCHEMBL553971 0.82 HSD17B10 (0.63) HSD17B10L3MBTL1POLBTDP1KDM4E
SCHEMBL553830 0.82 L3MBTL1 (0.62) HSD17B10L3MBTL1POLBTDP1KLKB1
SCHEMBL27370953 0.81 HSD17B10 (0.56) HSD17B10L3MBTL1POLBTDP1KDM4E

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-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 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
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 (6 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 HSD17B10 1060/4885L3MBTL1 806/4885NR1H4 3368/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B HSD17B10 3403/4885L3MBTL1 1632/4885NR1H4 3095/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 HSD17B10 1060/4885L3MBTL1 806/4885NR1H4 3368/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B HSD17B10 3403/4885L3MBTL1 1632/4885NR1H4 3095/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 HSD17B10 1769/4885L3MBTL1 828/4885NR1H4 2318/4885
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B HSD17B10 3403/4885L3MBTL1 1632/4885NR1H4 3095/4885

“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.