SCHEMBL8246793

SCHEMBL8246793

CN1CCN(c2ccc(Nc3nccn4c(-c5cnn(C)c5)cnc34)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.59
AURKB Q96GD4 6/20 0.53
MAPKAPK5 Q8IW41 3/20 0.49
PTK6 Q13882 2/20 0.45
MAP4K4 O95819 1/20 0.42
FYN P06241 4/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
RET P07949 1/20 0.39
TTK P33981 1/20 0.39

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
SCHEMBL14536969 0.89 AURKA (0.56) AURKAAURKBMAPKAPK5PTK6FYN
SCHEMBL8240294 0.88 AURKA (0.55) AURKAAURKBMAPKAPK5PTK6FYN
SCHEMBL8241312 0.87 AURKA (0.56) AURKAAURKBMAPKAPK5PTK6GSK3B
SCHEMBL8247274 0.85 AURKA (0.54) AURKAAURKBMAPKAPK5PTK6FYN
SCHEMBL8240843 0.83 AURKA (0.64) AURKAAURKBMAPKAPK5PTK6FYN
SCHEMBL14530382 0.81 AURKA (0.71) AURKAAURKBMAPKAPK5PTK6FYN
SCHEMBL10169171 0.81 MAPKAPK5 (0.64) AURKAAURKBMAPKAPK5PTK6FYN
SCHEMBL8240292 0.80 AURKA (0.70) AURKAAURKBMAPKAPK5PTK6FYN
SCHEMBL8247167 0.80 AURKA (0.69) AURKAAURKBMAPKAPK5PTK6FYN
SCHEMBL8247273 0.80 AURKA (0.69) AURKAAURKBMAPKAPK5FYNTTK

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 14 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
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
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 27/4885MAPKAPK5 205/4885
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB AURKA 2/4885AURKB 3/4885MAPKAPK5 302/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 AURKA 91/4885AURKB 137/4885MAPKAPK5 148/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A AURKA 41/4885AURKB 138/4885MAPKAPK5 61/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 AURKA 5/4885AURKB 24/4885MAPKAPK5 73/4885

“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.