SCHEMBL8247079

SCHEMBL8247079

COc1ccc(Cl)cc1NC(=O)Nc1nccn2c(-c3cnn(C)c3)cnc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.50
▸ AURKA O14965 4/20 0.48
▸ AURKB Q96GD4 3/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ EPHB4 P54760 3/20 0.47
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ IGF1R P08069 1/20 0.42

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
SCHEMBL14534072 0.87 AURKA (0.46) POLBAURKAAURKBEPHB4IRAK4
SCHEMBL8230039 0.83 AURKA (0.51) AURKAAURKBKMT2AMEN1IRAK4
SCHEMBL8241621 0.78 AURKA (0.55) AURKAAURKBIRAK4
SCHEMBL8246957 0.77 AURKA (0.57) AURKAAURKB
SCHEMBL8240590 0.76 AURKA (0.53) AURKAAURKB
SCHEMBL14530159 0.74 AURKA (0.53) AURKAAURKBCHEK1
SCHEMBL8245816 0.71 AURKA (0.51) AURKAAURKBALDH1A1KDM4E
SCHEMBL8249789 0.71 AURKA (0.58) AURKAAURKBKMT2AMEN1
SCHEMBL8240825 0.70 AURKA (0.59) AURKAAURKBKMT2AIRAK4CHEK1
SCHEMBL14507202 0.70 AURKA (0.55) AURKAAURKBCHEK1

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
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
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 POLB 854/4885AURKA 40/4885AURKB 27/4885
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB POLB 802/4885AURKA 2/4885AURKB 3/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 POLB 930/4885AURKA 91/4885AURKB 137/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A POLB 2283/4885AURKA 41/4885AURKB 138/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 POLB 2083/4885AURKA 5/4885AURKB 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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