Sugi Predict

Sugi Predict / Compounds / SCHEMBL6525385

SCHEMBL6525385

SCHEMBL6525385

COC(=O)c1ccc(CNc2ccc3c(=O)[nH]c4ncccc4c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ GABRA1 P14867 2/20 0.47
▸ GABRG2 P18507 2/20 0.47
▸ GABRB3 P28472 2/20 0.47
▸ GABRA5 P31644 2/20 0.47
▸ GABRA3 P34903 2/20 0.47
▸ GABRA2 P47869 2/20 0.47
▸ GABRP O00591 1/20 0.47
▸ GABRD O14764 1/20 0.47
▸ GABRB1 P18505 1/20 0.47
▸ GABRB2 P47870 1/20 0.47
▸ GABRA4 P48169 1/20 0.47
▸ GABRE P78334 1/20 0.47
▸ GABRA6 Q16445 1/20 0.47
▸ GABRG1 Q8N1C3 1/20 0.47
▸ GABRG3 Q99928 1/20 0.47
▸ GABRQ Q9UN88 1/20 0.47
▸ PARP1 P09874 3/20 0.46
▸ AURKA O14965 1/20 0.46

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
SCHEMBL6521530 0.90 HIF1A (0.51) CA1CA2GABRA1GABRG2GABRB3
SCHEMBL6522983 0.88 PARP1 (0.49) PARP1AURKAHDAC6
SCHEMBL6527186 0.86 MAPT (0.51) PARP1AURKAL3MBTL1MEN1LMNA
SCHEMBL3454371 0.83 AURKA (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6521930 0.82 PARP1 (0.52) PARP1AURKAL3MBTL1LMNAKMT2A
SCHEMBL6519406 0.82 AURKA (0.52) PARP1AURKAL3MBTL1LMNA
SCHEMBL6522266 0.82 AURKA (0.55) PARP1AURKAMAPK1MEN1HPGD
SCHEMBL6517391 0.82 AURKA (0.49) CA1CA2PARP1AURKAL3MBTL1
SCHEMBL6517544 0.80 FGFR1 (0.51) PARP1AURKAMEN1LMNAKMT2A
SCHEMBL6521606 0.79 RPS6KB1 (0.47) PARP1AURKAHDAC6

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-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 — — US disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 — — US disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 — — US disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 — — EP disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 — — EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 — — US disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 — — US disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 — — US disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 — — 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 (1 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-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 CA1 4850/4885CA2 4542/4885GABRA1 1617/4885

“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.