SCHEMBL12404527

SCHEMBL12404527

Cn1cc(-c2cnc3c(Nc4cc5cccnc5s4)nccn23)cn1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 8/20 0.62
▸ AURKA O14965 7/20 0.62
▸ MET P08581 3/20 0.44
▸ CHEK1 O14757 1/20 0.40
▸ EGFR P00533 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ ERBB4 Q15303 1/20 0.38
▸ FLT3 P36888 3/20 0.38
▸ NEK2 P51955 1/20 0.38
▸ PTK6 Q13882 1/20 0.37
▸ TTK P33981 1/20 0.36
▸ MAPKAPK5 Q8IW41 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
SCHEMBL14507356 0.87 AURKA (0.63) AURKBAURKACHEK1FLT3NEK2
SCHEMBL8239874 0.82 AURKA (0.69) AURKBAURKACHEK1FLT3TTK
SCHEMBL8246860 0.81 AURKA (0.57) AURKBAURKAMETCHEK1EGFR
SCHEMBL15146142 0.81 AURKB (0.71) AURKBAURKACHEK1FLT3PTK6
SCHEMBL8247289 0.80 EGFR (0.61) AURKBAURKAMETEGFRERBB2
SCHEMBL12473055 0.79 CHEK1 (0.69) AURKBAURKAMETCHEK1FLT3
SCHEMBL8239744 0.79 AURKA (0.64) AURKBAURKACHEK1FLT3TTK
SCHEMBL12404518 0.79 AURKA (0.60) AURKBAURKACHEK1FLT3NEK2
SCHEMBL8240371 0.79 AURKA (0.70) AURKBAURKACHEK1FLT3TTK
SCHEMBL8240162 0.78 AURKA (0.62) AURKBAURKAEGFRERBB2ERBB4

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 10 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
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-2009061781-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS SCHERING CORPORATION (US) 2009-05-14 — — WO 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
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 40/4885MET 1635/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A AURKB 138/4885AURKA 41/4885MET 968/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 AURKB 24/4885AURKA 5/4885MET 1038/4885

“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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