SCHEMBL8426788

SCHEMBL8426788

CN1CC(c2cnc3c(Nc4ccc5c(c4)CC(N)C5)nccn23)C=N1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.35
▸ BACE1 P56817 2/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.34
▸ ADORA3 P0DMS8 3/20 0.32
▸ MAPKAPK5 Q8IW41 1/20 0.31
▸ TTK P33981 1/20 0.30
▸ IGF1R P08069 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
SCHEMBL8427934 0.81 ADORA3 (0.37) ADORA3
SCHEMBL8429895 0.80 PAK4 (0.42) AURKAADORA3TTK
SCHEMBL8426616 0.80 PAK4 (0.37) AURKAADORA3
SCHEMBL8429587 0.79 ADORA3 (0.38) AURKAADORA3MAPKAPK5
SCHEMBL12473231 0.79 AURKA (0.34) AURKAADORA3MAPKAPK5
SCHEMBL8429786 0.79 BTK (0.34) AURKA
SCHEMBL8427744 0.78 MAPKAPK5 (0.38) AURKAADORA3MAPKAPK5
SCHEMBL8427933 0.76 ZAP70 (0.35) AURKABACE1BACE2ADORA3TTK
SCHEMBL8427741 0.76 BRD4 (0.39) ADORA3TTK
SCHEMBL14534281 0.76 LRRK2 (0.40) —

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 91/4885BACE1 3480/4885BACE2 3993/4885

“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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