SCHEMBL8246244

SCHEMBL8246244

Cc1ccc2cc(Nc3nccn4c(-c5cnn(C)c5)cnc34)ccc2n1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.60
▸ AURKB Q96GD4 6/20 0.60
▸ EGFR P00533 2/20 0.46
▸ ERBB2 P04626 2/20 0.46
▸ ERBB4 Q15303 2/20 0.46
▸ PTK6 Q13882 2/20 0.46
▸ PIK3CA P42336 1/20 0.42
▸ MAPKAPK5 Q8IW41 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ TTK P33981 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ RIPK2 O43353 1/20 0.38
▸ RIPK3 Q9Y572 1/20 0.38
▸ FGFR3 P22607 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ KDM1A O60341 1/20 0.36

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
SCHEMBL8247289 0.87 EGFR (0.61) AURKAAURKBEGFRERBB2ERBB4
SCHEMBL8240162 0.86 AURKA (0.62) AURKAAURKBEGFRERBB2ERBB4
SCHEMBL8240330 0.85 AURKA (0.63) AURKAAURKBEGFRERBB2ERBB4
SCHEMBL8240502 0.84 AURKA (0.60) AURKAAURKBEGFRERBB2ERBB4
SCHEMBL8246048 0.84 AURKA (0.66) AURKAAURKBEGFRERBB2ERBB4
SCHEMBL8240268 0.83 AURKA (0.58) AURKAAURKBEGFRERBB2ERBB4
SCHEMBL8240367 0.82 AURKA (0.60) AURKAAURKBEGFRERBB2ERBB4
SCHEMBL8240189 0.81 AURKA (0.60) AURKAAURKBEGFRERBB2ERBB4
SCHEMBL8241173 0.81 AURKA (0.60) AURKAAURKBEGFRERBB2ERBB4
SCHEMBL8246949 0.81 AURKA (0.58) AURKAAURKBEGFRERBB2ERBB4

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 13 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
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
US-7576085-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-08-18 — — US disclosed
US-7576085-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-08-18 — — US 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
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
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 (5 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 27/4885EGFR 723/4885
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB AURKA 2/4885AURKB 3/4885EGFR 1732/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 AURKA 91/4885AURKB 137/4885EGFR 1414/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A AURKA 41/4885AURKB 138/4885EGFR 604/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 AURKA 5/4885AURKB 24/4885EGFR 966/4885

“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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