SCHEMBL8427741

SCHEMBL8427741

CC(C)Oc1cccc(Nc2nccn3c(C4C=NN(C)C4)cnc23)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.39
▸ SYK P43405 4/20 0.37
▸ ZAP70 P43403 3/20 0.37
▸ ADORA3 P0DMS8 5/20 0.36
▸ TTK P33981 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KARS1 Q15046 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
SCHEMBL8426757 0.83 CHRNB2 (0.37) SYKZAP70ADORA3TTK
SCHEMBL8426788 0.76 AURKA (0.35) ADORA3TTK
SCHEMBL8429587 0.76 ADORA3 (0.38) ADORA3
SCHEMBL12473231 0.76 AURKA (0.34) SYKADORA3
SCHEMBL8239866 0.75 AURKA (0.56) BRD4TTK
SCHEMBL8427744 0.75 MAPKAPK5 (0.38) SYKADORA3KMT2A
SCHEMBL8429895 0.74 PAK4 (0.42) ADORA3TTKKARS1
SCHEMBL8427842 0.74 AURKA (0.32) ADORA3
SCHEMBL8427933 0.73 ZAP70 (0.35) SYKZAP70ADORA3TTKKARS1
SCHEMBL8426616 0.73 PAK4 (0.37) SYKADORA3KARS1

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 BRD4 200/4885SYK 1991/4885ZAP70 852/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 BRD4 755/4885SYK 627/4885ZAP70 75/4885

“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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