SCHEMBL12404428

SCHEMBL12404428

Cn1cc(-c2cnc3c(Nc4nc(C5CCCN5)c[nH]4)nccn23)cn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.53
▸ AURKB Q96GD4 7/20 0.53
▸ CHEK1 O14757 5/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ TTK P33981 3/20 0.35
▸ CHEK2 O96017 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ PTK6 Q13882 1/20 0.33
▸ MAPKAPK5 Q8IW41 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL13154745 0.84 AURKA (0.56) AURKAAURKBCHEK1FLT3TTK
SCHEMBL8240285 0.84 AURKA (0.56) AURKAAURKBCHEK1FLT3TTK
SCHEMBL8247571 0.71 AURKA (0.58) AURKAAURKBCHEK1TTKCCNA2
SCHEMBL8239744 0.71 AURKA (0.64) AURKAAURKBCHEK1FLT3TTK
SCHEMBL8240135 0.71 AURKA (0.58) AURKAAURKBFLT3TTK
SCHEMBL8241005 0.71 AURKA (0.64) AURKAAURKBCHEK1FLT3TTK
SCHEMBL8241222 0.71 AURKA (0.58) AURKAAURKBCHEK1CCNA2CDK2
SCHEMBL8241235 0.71 AURKA (0.81) AURKAAURKBCHEK1CCNA2CDK2
SCHEMBL8246210 0.71 AURKA (0.55) AURKAAURKBFLT3TTK
SCHEMBL8240570 0.71 AURKA (0.63) AURKAAURKBCHEK1FLT3TTK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS MERCK SHARP & DOHME LLC 2011-07-28 — — US disclosed
US-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS MERCK SHARP & DOHME LLC 2011-07-28 — — 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-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS CDC25C, CHEK1, CDC25A AURKA 40/4885AURKB 27/4885CHEK1 2/4885

“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.

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