SCHEMBL8246043

SCHEMBL8246043

Cn1cc(-c2cnc3c(Nc4cccc(C5CNCCN5)c4)nccn23)cn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.52
▸ AURKB Q96GD4 6/20 0.52
▸ TTK P33981 1/20 0.40
▸ PTK6 Q13882 2/20 0.40
▸ MAPKAPK5 Q8IW41 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ AXL P30530 5/20 0.36
▸ TYRO3 Q06418 5/20 0.36
▸ MERTK Q12866 5/20 0.36
▸ CHEK1 O14757 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ ERBB4 Q15303 1/20 0.35
▸ NRAS P01111 1/20 0.35
▸ FLT3 P36888 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
SCHEMBL8240948 0.86 AURKA (0.56) AURKAAURKBTTKPTK6CHEK1
SCHEMBL8240971 0.85 AURKA (0.66) AURKAAURKBTTKPTK6MAPKAPK5
SCHEMBL8246328 0.81 AURKA (0.56) AURKAAURKBTTKPTK6FYN
SCHEMBL12404395 0.80 AURKA (0.63) AURKAAURKBTTKPTK6MAPKAPK5
SCHEMBL8241171 0.79 AURKA (0.59) AURKAAURKBTTKPTK6FYN
SCHEMBL8247273 0.78 AURKA (0.69) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL8239882 0.77 AURKA (0.63) AURKAAURKBTTKPTK6MAPKAPK5
SCHEMBL8249789 0.77 AURKA (0.58) AURKAAURKBTTKAXLTYRO3
SCHEMBL8247571 0.77 AURKA (0.58) AURKAAURKBTTKPTK6MAPKAPK5
SCHEMBL8241321 0.76 AURKA (0.56) AURKAAURKBTTKPTK6AXL

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
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-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 (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 40/4885AURKB 27/4885TTK 68/4885
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB AURKA 2/4885AURKB 3/4885TTK 40/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 AURKA 91/4885AURKB 137/4885TTK 106/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 AURKA 5/4885AURKB 24/4885TTK 69/4885

“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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