SCHEMBL8428012

SCHEMBL8428012

Cn1cc(-c2cnc3c(Nc4ccc(-n5ccnc5)cc4)nc(C#N)cn23)cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 9/20 0.47
▸ PTK6 Q13882 1/20 0.40
▸ AURKB Q96GD4 6/20 0.40
▸ CD38 P28907 1/20 0.36
▸ SYK P43405 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ TTK P33981 1/20 0.34
▸ CSNK1A1 P48729 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1G2 P78368 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ MAPKAPK5 Q8IW41 1/20 0.34
▸ ACVR1 Q04771 1/20 0.33
▸ FLT3 P36888 1/20 0.33

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
SCHEMBL14536729 0.89 AURKA (0.39) AURKAAURKBCD38SYKTTK
SCHEMBL8241616 0.84 AURKA (0.64) AURKAAURKBCD38TTKFYN
SCHEMBL8241480 0.84 AURKA (0.49) AURKAPTK6AURKBCD38SYK
SCHEMBL14529971 0.82 AURKA (0.45) AURKAPTK6AURKBCD38SYK
SCHEMBL8250953 0.82 AURKA (0.47) AURKAPTK6AURKBSYKMAPKAPK5
SCHEMBL8240926 0.82 AURKA (0.45) AURKAPTK6AURKBCD38SYK
SCHEMBL8247986 0.82 AURKA (0.45) AURKAPTK6AURKBCD38SYK
SCHEMBL14507910 0.82 AURKA (0.45) AURKAPTK6AURKBCD38SYK
SCHEMBL8246867 0.82 AURKA (0.45) AURKAPTK6AURKBCD38SYK
SCHEMBL8248254 0.80 AURKB (0.53) AURKAPTK6AURKBCHEK1

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
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-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-2007058873-A2 IMIDAZOPYRAZINES AS CYCLIN DEPENTEND KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO 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
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-05-18 — — 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 (4 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 40/4885PTK6 639/4885AURKB 27/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 AURKA 91/4885PTK6 692/4885AURKB 137/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A AURKA 41/4885PTK6 292/4885AURKB 138/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 AURKA 5/4885PTK6 443/4885AURKB 24/4885

“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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