SCHEMBL6517403

SCHEMBL6517403

COc1cccc(C#Cc2ccnc3[nH]c(=O)c4ccccc4c23)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.47
AURKB Q96GD4 4/20 0.46
PTK6 Q13882 2/20 0.42
AAK1 Q2M2I8 1/20 0.42
SERPINE1 P05121 1/20 0.42
GRM5 P41594 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ALK Q9UM73 1/20 0.40
ERBB2 P04626 1/20 0.40

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
SCHEMBL6517875 0.88 PTK6 (0.50) AURKAAURKBPTK6MAPTALK
SCHEMBL6522991 0.85 AURKA (0.49) AURKAAURKBALK
SCHEMBL6517228 0.84 AURKA (0.57) AURKAAURKBALK
SCHEMBL6519144 0.83 AURKA (0.55) AURKAAURKBPTK6GRM5ALK
SCHEMBL6525830 0.83 AURKA (0.55) AURKAAURKBALK
SCHEMBL6521766 0.83 AURKA (0.51) AURKAAURKBALK
SCHEMBL6525391 0.83 AURKA (0.55) AURKAAURKBPTK6ALK
SCHEMBL6523519 0.80 PTK6 (0.47) AURKAAURKBPTK6
SCHEMBL6532860 0.80 AURKA (0.46) AURKAAURKBGRM5KMT2A
SCHEMBL6525060 0.79 AURKA (0.52) AURKAAURKBALK

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 6 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
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

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 487/4885PTK6 186/4885

“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.