SCHEMBL12473556

SCHEMBL12473556

Cc1nn(C)cc1-c1cnc2c(Nc3cccc(N(C)C)c3)nccn12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.47
▸ AURKA O14965 6/20 0.43
▸ AURKB Q96GD4 5/20 0.39
▸ EGFR P00533 2/20 0.37
▸ TTK P33981 1/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPKAPK5 Q8IW41 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCND3 P30281 1/20 0.32
▸ CDK6 Q00534 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
SCHEMBL8240815 0.87 FYN (0.44) FYNAURKAAURKBEGFRTTK
SCHEMBL8241294 0.87 FYN (0.44) FYNAURKAAURKBEGFRTTK
SCHEMBL14536734 0.85 FYN (0.46) FYNAURKAAURKBEGFRTTK
SCHEMBL8241264 0.85 FYN (0.46) FYNAURKAAURKBEGFRTTK
SCHEMBL8426780 0.84 FYN (0.47) FYNAURKAAURKBEGFRTTK
SCHEMBL8241622 0.83 FYN (0.47) FYNAURKAAURKBEGFRTTK
SCHEMBL8239882 0.82 AURKA (0.63) FYNAURKAAURKBEGFRTTK
SCHEMBL13157193 0.81 FYN (0.50) FYNAURKAAURKBEGFRTTK
SCHEMBL14538580 0.81 FYN (0.43) FYNAURKAAURKBTTKBRD4
SCHEMBL8240029 0.80 FYN (0.48) FYNAURKAEGFRTTKADORA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS MERCK SHARP & DOHME LLC 2011-07-28 — — 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-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS CDC25C, CHEK1, CDC25A FYN 1691/4885AURKA 40/4885AURKB 27/4885

“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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