SCHEMBL3454207

SCHEMBL3454207

COC(=O)c1cccc2c1c(=O)[nH]c1nccc(Cl)c12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.58
AURKB Q96GD4 4/20 0.58
NR4A2 P43354 4/20 0.46
MAP2K1 Q02750 1/20 0.44
PSMD14 O00487 1/20 0.41
DAO P14920 1/20 0.40
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
PBRM1 Q86U86 1/20 0.38
CREBBP Q92793 1/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL3455551 0.79 AURKA (0.67) AURKAAURKBDAO
SCHEMBL6524053 0.76 AURKA (0.58) AURKAAURKBDAOKDM4E
SCHEMBL6518381 0.76 AURKA (0.58) AURKAAURKBDAOKDM4E
SCHEMBL679019 0.74 AURKA (1.00) AURKAAURKBDAO
SCHEMBL23293688 0.73 PSMD14 (0.56) NR4A2MAP2K1PSMD14KDM4E
SCHEMBL17818802 0.71 NR4A2 (0.58) AURKBNR4A2MAP2K1PKN2CREBBP
SCHEMBL6007667 0.70 NR4A2 (0.53) NR4A2PKN1PKN2CREBBPKDM4E
SCHEMBL6527216 0.70 AURKA (0.61) AURKAAURKBDAOKDM4E
SCHEMBL2015365 0.70 GABRA1 (0.57) AURKAAURKBKDM4E
SCHEMBL17249871 0.70 NR4A2 (0.53) NR4A2CREBBPKDM4E

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 5 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
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
EP-2254889-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-12-01 EP 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 538/4885AURKB 487/4885NR4A2 2584/4885

“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.