SCHEMBL8426616

SCHEMBL8426616

CN1CC(c2cnc3c(Nc4ccnc(N5CC[C@@H](N)C5)c4)nccn23)C=N1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 1/20 0.37
▸ PAK1 Q13153 1/20 0.37
▸ KARS1 Q15046 2/20 0.36
▸ CAMK1D Q8IU85 3/20 0.35
▸ HRH4 Q9H3N8 4/20 0.34
▸ ROCK2 O75116 3/20 0.33
▸ LCK P06239 1/20 0.33
▸ PTK6 Q13882 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ SYK P43405 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ KDR P35968 1/20 0.31
▸ MELK Q14680 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ ROCK1 Q13464 1/20 0.30
▸ CDC42BPB Q9Y5S2 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
SCHEMBL8429895 0.96 PAK4 (0.42) PAK4PAK1KARS1CAMK1DROCK2
SCHEMBL8429786 0.89 BTK (0.34) HRH4HRH3SYKMELKAURKA
SCHEMBL8429587 0.88 ADORA3 (0.38) HRH4LCKPTK6AURKBADORA3
SCHEMBL8426788 0.80 AURKA (0.35) ADORA3AURKA
SCHEMBL14536838 0.79 AURKA (0.51) PAK4PAK1KARS1LCKPTK6
SCHEMBL8239859 0.79 AURKA (0.51) PAK4PAK1KARS1LCKPTK6
SCHEMBL8427844 0.77 KCNH2 (0.36) HRH4PTK6HRH3SYKADORA3
SCHEMBL8427744 0.76 MAPKAPK5 (0.38) PTK6SYKADORA3AURKA
SCHEMBL12473231 0.74 AURKA (0.34) AURKBSYKADORA3AURKA
SCHEMBL8427741 0.73 BRD4 (0.39) KARS1SYKADORA3

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 3 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-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 — — 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 (2 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 PAK4 247/4885PAK1 169/4885KARS1 1657/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 PAK4 508/4885PAK1 217/4885KARS1 1217/4885

“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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