SCHEMBL12473154

SCHEMBL12473154

c1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C3CCNCC3)ns2)n1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 16/20 0.74
▸ AURKA O14965 11/20 0.74
▸ LCK P06239 2/20 0.51
▸ PTK6 Q13882 1/20 0.49
▸ CHEK1 O14757 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ CSNK1D P48730 1/20 0.47
▸ RPS6KA3 P51812 1/20 0.47
▸ PLK3 Q9H4B4 1/20 0.47
▸ IRAK4 Q9NWZ3 1/20 0.47

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
SCHEMBL13954832 0.89 AURKB (0.68) AURKBAURKALCKPTK6CHEK1
SCHEMBL12473346 0.85 AURKB (1.00) AURKBAURKALCKPTK6CHEK1
SCHEMBL8241796 0.84 AURKB (1.00) AURKBAURKALCKPTK6CHEK1
SCHEMBL12473048 0.81 LCK (0.74) AURKBAURKALCKPTK6CHEK1
SCHEMBL8241241 0.79 AURKA (0.90) AURKBAURKALCKCHEK1CDK2
SCHEMBL14536797 0.78 AURKB (0.50) AURKBAURKALCKPTK6CHEK1
SCHEMBL14538361 0.77 AURKB (0.59) AURKBAURKALCKPTK6CHEK1
SCHEMBL13155517 0.77 AURKB (0.74) AURKBAURKALCKPTK6CHEK1
SCHEMBL8240362 0.77 AURKB (0.88) AURKBAURKALCKCHEK1
SCHEMBL13155502 0.76 AURKB (0.74) AURKBAURKALCKPTK6CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217611-B1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2013-07-31 — — EP disclosed
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
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 — — US disclosed
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 — — WO disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 — — US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 — — 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 (3 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 AURKB 27/4885AURKA 40/4885LCK 179/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A AURKB 138/4885AURKA 41/4885LCK 15/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 AURKB 24/4885AURKA 5/4885LCK 88/4885

“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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