SCHEMBL8426888

SCHEMBL8426888

Cn1cc(-c2cnc3c(Nc4ccc5c(c4)CCN5)nccn23)cn1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.58
▸ AURKB Q96GD4 5/20 0.55
▸ MAPKAPK5 Q8IW41 1/20 0.45
▸ PTK6 Q13882 2/20 0.44
▸ AXL P30530 10/20 0.43
▸ TYRO3 Q06418 10/20 0.43
▸ MERTK Q12866 10/20 0.43
▸ JAK2 O60674 1/20 0.41
▸ TYK2 P29597 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
SCHEMBL8240279 0.88 AURKA (0.58) AURKAAURKBAXLTYRO3MERTK
SCHEMBL8247437 0.87 AURKA (0.57) AURKAAURKBMAPKAPK5PTK6AXL
SCHEMBL8240330 0.81 AURKA (0.63) AURKAAURKBMAPKAPK5PTK6
SCHEMBL8241176 0.81 AURKA (0.58) AURKAAURKBMAPKAPK5PTK6AXL
SCHEMBL14507230 0.81 AURKA (0.58) AURKAAURKBMAPKAPK5PTK6AXL
SCHEMBL14530382 0.80 AURKA (0.71) AURKAAURKBMAPKAPK5PTK6
SCHEMBL8240162 0.80 AURKA (0.62) AURKAAURKBMAPKAPK5PTK6AXL
SCHEMBL8246048 0.80 AURKA (0.66) AURKAAURKBMAPKAPK5PTK6JAK2
SCHEMBL8246792 0.80 AURKA (0.62) AURKAAURKBMAPKAPK5PTK6
SCHEMBL8240292 0.79 AURKA (0.70) AURKAAURKBMAPKAPK5PTK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-05-18 — — 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-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 AURKA 91/4885AURKB 137/4885MAPKAPK5 148/4885

“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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