SCHEMBL8426780

SCHEMBL8426780

BNc1cccc(-c2nn(C)cc2-c2cnc3c(Nc4cccc(N(C)C)c4)nccn23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 2/20 0.47
▸ AURKA O14965 6/20 0.41
▸ AURKB Q96GD4 5/20 0.35
▸ TTK P33981 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ PTK6 Q13882 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ MAPKAPK5 Q8IW41 1/20 0.32
▸ CCNA2 P20248 2/20 0.30
▸ CDK2 P24941 2/20 0.30
▸ CCNA1 P78396 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ CDK5R1 Q15078 1/20 0.30
▸ MAPK10 P53779 2/20 0.30
▸ CDK4 P11802 1/20 0.30
▸ CCND3 P30281 1/20 0.30
▸ CDK6 Q00534 1/20 0.30
▸ GAA P10253 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
SCHEMBL14536734 0.92 FYN (0.46) FYNAURKAAURKBTTKABCG2
SCHEMBL8241264 0.91 FYN (0.46) FYNAURKAAURKBTTKABCG2
SCHEMBL14538580 0.90 FYN (0.43) FYNAURKAAURKBTTKPTK6
SCHEMBL8239650 0.86 TTK (0.44) FYNAURKATTKEGFRBRAF
SCHEMBL8241257 0.85 BRD4 (0.43) FYNAURKATTKPTK6EGFR
SCHEMBL14537088 0.84 FYN (0.45) FYNAURKAAURKBTTKABCG2
SCHEMBL12473556 0.84 FYN (0.47) FYNAURKAAURKBTTKABCG2
SCHEMBL8240815 0.81 FYN (0.44) FYNAURKAAURKBTTKABCG2
SCHEMBL8241294 0.81 FYN (0.44) FYNAURKAAURKBTTKABCG2
SCHEMBL8239882 0.79 AURKA (0.63) FYNAURKAAURKBTTKABCG2

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 FYN 1797/4885AURKA 91/4885AURKB 137/4885

“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.

Send feedback