SCHEMBL8427842

SCHEMBL8427842

CN1CC(c2cnc3c(Nc4ccc(O)c(-c5cc[nH]n5)c4)nccn23)C=N1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.32
▸ PTK6 Q13882 1/20 0.31
▸ ADORA3 P0DMS8 4/20 0.31
▸ AURKB Q96GD4 1/20 0.30
▸ MAPKAPK5 Q8IW41 1/20 0.30

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
SCHEMBL8246540 0.77 AURKA (0.54) AURKAPTK6AURKBMAPKAPK5
SCHEMBL8426788 0.75 AURKA (0.35) AURKAADORA3MAPKAPK5
SCHEMBL14534281 0.74 LRRK2 (0.40) —
SCHEMBL12473231 0.74 AURKA (0.34) AURKAADORA3AURKBMAPKAPK5
SCHEMBL8427741 0.74 BRD4 (0.39) ADORA3
SCHEMBL14533855 0.73 MAPK1 (0.38) —
SCHEMBL8429587 0.72 ADORA3 (0.38) AURKAPTK6ADORA3AURKBMAPKAPK5
SCHEMBL8426757 0.71 CHRNB2 (0.37) AURKAADORA3AURKB
SCHEMBL8427744 0.71 MAPKAPK5 (0.38) AURKAPTK6ADORA3MAPKAPK5
SCHEMBL8429895 0.71 PAK4 (0.42) AURKAPTK6ADORA3AURKB

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-7576085-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-08-18 — — US disclosed
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 91/4885PTK6 692/4885ADORA3 3961/4885

“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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