SCHEMBL8429700

SCHEMBL8429700

CN1CC(c2cnc3c(Nc4cc(C5CCNCC5)ns4)nccn23)C=N1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.63
▸ AURKB Q96GD4 7/20 0.63
▸ FLT3 P36888 2/20 0.36
▸ ADORA3 P0DMS8 8/20 0.33
▸ CHEK1 O14757 1/20 0.32

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
SCHEMBL14534093 0.91 AURKA (0.53) AURKAAURKBFLT3ADORA3CHEK1
SCHEMBL14534143 0.85 AURKA (0.59) AURKAAURKBFLT3ADORA3
SCHEMBL14533907 0.82 AURKA (0.54) AURKAAURKBADORA3
SCHEMBL14530388 0.78 ADORA3 (0.48) AURKAAURKBFLT3ADORA3
SCHEMBL8426673 0.78 AURKA (0.56) AURKAAURKBADORA3
SCHEMBL8241796 0.78 AURKB (1.00) AURKAAURKBFLT3CHEK1
SCHEMBL12473154 0.75 AURKB (0.74) AURKAAURKBCHEK1
SCHEMBL8427761 0.74 AURKA (0.36) AURKAAURKBADORA3
SCHEMBL14533910 0.74 AURKA (0.35) AURKAAURKBADORA3
SCHEMBL14533906 0.73 AURKA (0.51) AURKAAURKBCHEK1

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 91/4885AURKB 137/4885FLT3 650/4885

“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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