SCHEMBL12473190

SCHEMBL12473190

Bc1ncc(Nc2nccn3c(-c4cnn(C)c4)cnc23)cc1C

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.62
▸ AURKB Q96GD4 6/20 0.62
▸ PTK6 Q13882 2/20 0.39
▸ TTK P33981 3/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ MAPKAPK5 Q8IW41 3/20 0.38
▸ FYN P06241 2/20 0.36
▸ ADORA2A P29274 1/20 0.35

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
SCHEMBL8240349 0.90 AURKA (0.63) AURKAAURKBPTK6TTKCHEK1
SCHEMBL8241212 0.88 AURKA (0.61) AURKAAURKBPTK6TTKCHEK1
SCHEMBL8246048 0.82 AURKA (0.66) AURKAAURKBPTK6TTKCHEK1
SCHEMBL8247167 0.81 AURKA (0.69) AURKAAURKBPTK6TTKMAPKAPK5
SCHEMBL8247273 0.81 AURKA (0.69) AURKAAURKBTTKCHEK1MAPKAPK5
SCHEMBL14530382 0.80 AURKA (0.71) AURKAAURKBPTK6TTKMAPKAPK5
SCHEMBL8240843 0.80 AURKA (0.64) AURKAAURKBPTK6TTKMAPKAPK5
SCHEMBL8246792 0.80 AURKA (0.62) AURKAAURKBPTK6TTKMAPKAPK5
SCHEMBL8240292 0.79 AURKA (0.70) AURKAAURKBPTK6TTKMAPKAPK5
SCHEMBL12404395 0.79 AURKA (0.63) AURKAAURKBPTK6TTKCHEK1

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-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
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
WO-2007058873-A2 IMIDAZOPYRAZINES AS CYCLIN DEPENTEND KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO 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 AURKA 40/4885AURKB 27/4885PTK6 639/4885

“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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