SCHEMBL6517875

SCHEMBL6517875

COc1ccc(C#Cc2ccnc3[nH]c(=O)c4ccccc4c23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 1/20 0.50
AURKA O14965 10/20 0.49
AURKB Q96GD4 4/20 0.49
KDM4E B2RXH2 1/20 0.43
PARP1 P09874 2/20 0.42
CDC25B P30305 1/20 0.41
BRD4 O60885 1/20 0.41
NPC1 O15118 1/20 0.40
TNKS O95271 1/20 0.40
GUSB P08236 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
ALK Q9UM73 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL6517403 0.88 AURKA (0.47) PTK6AURKAAURKBALKMAPT
SCHEMBL6525060 0.87 AURKA (0.52) AURKAAURKBPARP1ALK
SCHEMBL6517228 0.86 AURKA (0.57) AURKAAURKBPARP1ALK
SCHEMBL6527193 0.84 AURKA (0.62) AURKAAURKBPARP1ALK
SCHEMBL6521997 0.84 AURKA (0.52) AURKAAURKBPARP1ALK
SCHEMBL6525391 0.83 AURKA (0.55) PTK6AURKAAURKBPARP1BRD4
SCHEMBL12787055 0.82 AURKA (0.50) AURKAAURKBKDM4ERAB9A
SCHEMBL6519094 0.81 AURKA (0.54) PTK6AURKAAURKBPARP1TNKS
SCHEMBL6519322 0.79 AURKA (0.55) AURKAAURKBPARP1
SCHEMBL6522991 0.79 AURKA (0.49) AURKAAURKBPARP1ALK

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 PTK6 186/4885AURKA 538/4885AURKB 487/4885

“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.