SCHEMBL13155452

SCHEMBL13155452

Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CC(C)CC(C)C3)ns2)n1

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 20/20 0.84
▸ CHEK1 O14757 2/20 0.78
▸ LCK P06239 2/20 0.78
▸ KDR P35968 2/20 0.78
▸ IRAK4 Q9NWZ3 2/20 0.78
▸ RPS6KA3 P51812 1/20 0.78
▸ PTK6 Q13882 1/20 0.78
▸ FLT3 P36888 1/20 0.71
▸ EPHB4 P54760 1/20 0.71

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
SCHEMBL12588203 0.92 AURKB (0.85) AURKBCHEK1LCKKDRIRAK4
SCHEMBL12588204 0.92 AURKB (0.85) AURKBCHEK1LCKKDRIRAK4
SCHEMBL13983609 0.91 AURKB (1.00) AURKBCHEK1LCKKDRIRAK4
SCHEMBL13983636 0.91 AURKB (0.85) AURKBCHEK1LCKKDRIRAK4
SCHEMBL12588168 0.91 AURKB (0.84) AURKBCHEK1LCKKDRIRAK4
SCHEMBL12588169 0.90 AURKB (0.88) AURKBCHEK1LCKKDRIRAK4
SCHEMBL13983610 0.90 AURKB (0.84) AURKBCHEK1LCKKDRIRAK4
SCHEMBL13983608 0.89 AURKB (0.81) AURKBCHEK1LCKKDRIRAK4
SCHEMBL13155440 0.88 AURKB (1.00) AURKBCHEK1LCKKDRIRAK4
SCHEMBL13155469 0.88 AURKB (1.00) AURKBCHEK1LCKKDRIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 — — US disclosed
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 — — US disclosed
WO-2009017701-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2009-02-05 — — WO disclosed
WO-2008156614-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-12-24 — — 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-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB AURKB 3/4885CHEK1 61/4885LCK 732/4885

“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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