SCHEMBL8426757

SCHEMBL8426757

CN1CC(c2cnc3c(Nc4cccc(OC5CCNC5)c4)nccn23)C=N1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ ACVR1 Q04771 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ ZAP70 P43403 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ CACNA2D1 P54289 1/20 0.35
▸ PRKCZ Q05513 1/20 0.35
▸ PDE4A P27815 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ TTK P33981 1/20 0.34
▸ ADORA3 P0DMS8 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
SCHEMBL8427741 0.83 BRD4 (0.39) ZAP70SYKTTKADORA3
SCHEMBL8246328 0.79 AURKA (0.56) ACVR1AURKAAURKBTTK
SCHEMBL8241171 0.75 AURKA (0.59) ACVR1AURKAAURKBFLT3TTK
SCHEMBL8429700 0.73 AURKA (0.63) AURKAAURKBFLT3ADORA3
SCHEMBL8426788 0.73 AURKA (0.35) AURKATTKADORA3
SCHEMBL14533855 0.73 MAPK1 (0.38) TTK
SCHEMBL14534281 0.72 LRRK2 (0.40) —
SCHEMBL8429587 0.72 ADORA3 (0.38) AURKAAURKBFLT3ADORA3
SCHEMBL12473231 0.72 AURKA (0.34) AURKAAURKBSYKFLT3ADORA3
SCHEMBL14530388 0.72 ADORA3 (0.48) AURKAAURKBFLT3TTKADORA3

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 CHRNB2 4710/4885CHRNA4 4658/4885ACVR1 2167/4885

“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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