SCHEMBL6521997

SCHEMBL6521997

O=c1[nH]c2nccc(C#Cc3ccc(F)cc3)c2c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.52
AURKB Q96GD4 15/20 0.52
ALK Q9UM73 1/20 0.47
PARP1 P09874 1/20 0.44
CHEK2 O96017 2/20 0.42
RET P07949 2/20 0.42
FLT4 P35916 2/20 0.42
LIMK1 P53667 2/20 0.42
CSF1R P07333 1/20 0.42
ABL2 P42684 1/20 0.42
BLK P51451 1/20 0.42
MAPK13 O15264 1/20 0.41
NTRK1 P04629 1/20 0.41
HCK P08631 1/20 0.41
FGFR1 P11362 1/20 0.41
SIK1 P57059 1/20 0.41
TNK2 Q07912 1/20 0.41
WNK3 Q9BYP7 1/20 0.41

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
SCHEMBL6517228 0.90 AURKA (0.57) AURKAAURKBALKPARP1CHEK2
SCHEMBL6525060 0.88 AURKA (0.52) AURKAAURKBALKPARP1CHEK2
SCHEMBL6527193 0.88 AURKA (0.62) AURKAAURKBALKPARP1CHEK2
SCHEMBL6519094 0.87 AURKA (0.54) AURKAAURKBPARP1CHEK2RET
SCHEMBL6521766 0.87 AURKA (0.51) AURKAAURKBALKPARP1CHEK2
SCHEMBL6526918 0.85 AURKA (0.53) AURKAAURKBALKPARP1CHEK2
SCHEMBL6517791 0.85 AURKA (0.55) AURKAAURKBALKPARP1CHEK2
SCHEMBL6517875 0.84 PTK6 (0.50) AURKAAURKBALKPARP1
SCHEMBL12787055 0.82 AURKA (0.50) AURKAAURKBCHEK2RETFLT4
SCHEMBL12787051 0.81 AURKA (0.68) AURKAAURKBCHEK2RETFLT4

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 487/4885ALK 698/4885

“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.