SCHEMBL6519310

SCHEMBL6519310

O=c1[nH]c2nccc(Cl)c2c2ccc(Cl)cc12

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.70
AURKB Q96GD4 2/20 0.70
PARP1 P09874 2/20 0.53
DAO P14920 2/20 0.49
UTS2R Q9UKP6 1/20 0.43
ERBB2 P04626 2/20 0.42
CDC25A P30304 1/20 0.41
CDC25C P30307 1/20 0.41
TYMS P04818 1/20 0.40
PTK6 Q13882 2/20 0.40
ALDH1A1 P00352 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
SCHEMBL6517191 0.94 AURKA (0.70) AURKAAURKBPARP1DAOUTS2R
SCHEMBL6521696 0.85 AURKA (0.67) AURKAAURKBPARP1DAOCDC25A
SCHEMBL6521579 0.85 AURKA (0.67) AURKAAURKBPARP1DAOERBB2
SCHEMBL679019 0.83 AURKA (1.00) AURKAAURKBPARP1DAOERBB2
SCHEMBL6523418 0.79 AURKA (0.67) AURKAAURKBPARP1DAOPTK6
SCHEMBL6518381 0.79 AURKA (0.58) AURKAAURKBPARP1DAOALDH1A1
SCHEMBL6527216 0.78 AURKA (0.61) AURKAAURKBDAOPTK6ALDH1A1
SCHEMBL3454682 0.77 AURKA (0.63) AURKAAURKBPARP1DAOPTK6
SCHEMBL3454039 0.77 PARP1 (0.68) AURKAAURKBPARP1DAOALDH1A1
SCHEMBL14237126 0.76 PARP1 (0.62) AURKAAURKBPARP1DAOALDH1A1

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 3 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

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 487/4885PARP1 1693/4885

“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.