SCHEMBL8429587

SCHEMBL8429587

CN1CCN(c2cc(Nc3nccn4c(C5C=NN(C)C5)cnc34)ccn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.38
▸ MAPKAPK5 Q8IW41 1/20 0.38
▸ LCK P06239 1/20 0.37
▸ PTK6 Q13882 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ FLT3 P36888 3/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ MTOR P42345 1/20 0.33
▸ SMG1 Q96Q15 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ MAP3K7 O43318 1/20 0.32
▸ HTR3A P46098 1/20 0.31

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
SCHEMBL8429895 0.90 PAK4 (0.42) ADORA3LCKPTK6AURKBDYRK1A
SCHEMBL8427744 0.88 MAPKAPK5 (0.38) ADORA3MAPKAPK5PTK6EGFRAURKA
SCHEMBL8426616 0.88 PAK4 (0.37) ADORA3LCKPTK6AURKBHRH4
SCHEMBL8426788 0.79 AURKA (0.35) ADORA3MAPKAPK5AURKA
SCHEMBL12473231 0.78 AURKA (0.34) ADORA3MAPKAPK5AURKBFLT3AURKA
SCHEMBL8427844 0.78 KCNH2 (0.36) ADORA3PTK6HRH4FLT3AURKA
SCHEMBL8429786 0.76 BTK (0.34) HRH4FLT3AURKA
SCHEMBL8427741 0.76 BRD4 (0.39) ADORA3
SCHEMBL8241312 0.75 AURKA (0.56) MAPKAPK5LCKPTK6AURKBCLK2
SCHEMBL14533966 0.73 AURKA (0.37) ADORA3AURKBAURKA

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 ADORA3 3961/4885MAPKAPK5 148/4885LCK 297/4885

“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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