Sugi Predict

Sugi Predict / Compounds / SCHEMBL6517375

SCHEMBL6517375

SCHEMBL6517375

NC(=O)CCCNc1ccc2c(=O)[nH]c3ncccc3c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 10/20 0.51
▸ PARP1 P09874 3/20 0.51
▸ DAO P14920 1/20 0.36
▸ AURKB Q96GD4 7/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ RET P07949 1/20 0.35
▸ HCK P08631 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ LIMK1 P53667 1/20 0.35
▸ SIK1 P57059 1/20 0.35

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
SCHEMBL6524125 0.85 ELANE (0.48) AURKAPARP1MAPT
SCHEMBL6525846 0.80 AURKA (0.47) AURKAPARP1
SCHEMBL6533053 0.79 AURKA (0.54) AURKAPARP1MAPT
SCHEMBL6533239 0.78 AURKA (0.50) AURKAPARP1AURKB
SCHEMBL6525635 0.78 AURKA (0.56) AURKAPARP1DAOAURKBNPC1
SCHEMBL6517410 0.77 ALDH1A1 (0.51) AURKAPARP1NPC1RAB9AMAPT
SCHEMBL6521606 0.77 RPS6KB1 (0.47) AURKAPARP1AURKB
SCHEMBL6523008 0.77 PARP1 (0.51) AURKAPARP1
SCHEMBL6522051 0.76 AURKA (0.54) AURKAPARP1AURKBMAPK13CHEK2
SCHEMBL3454371 0.76 AURKA (0.60) AURKAPARP1AURKBMAPK13NTRK1

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-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
US-20140127627-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, AND PATTERN-FORMING METHOD USING THE SAME ITO TAKAYUKI (JP) 2014-05-08 — — 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 AURKA 538/4885PARP1 1693/4885DAO 2256/4885

“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.