SCHEMBL8248254

SCHEMBL8248254

Cn1cc(-c2cnc3c(Nc4ccc(-n5ccnc5)cc4)nc(C4CCNCC4)cn23)cn1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 12/20 0.53
▸ AURKA O14965 7/20 0.53
▸ PTK6 Q13882 11/20 0.44
▸ LCK P06239 7/20 0.42
▸ CHEK1 O14757 1/20 0.39
▸ TYRO3 Q06418 1/20 0.37

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
SCHEMBL14529984 0.91 CHEK1 (0.44) AURKBAURKAPTK6CHEK1
SCHEMBL8241447 0.91 CHEK1 (0.44) AURKBAURKAPTK6CHEK1
SCHEMBL8246925 0.82 CHEK1 (0.46) AURKBAURKAPTK6LCKCHEK1
SCHEMBL8241422 0.82 CHEK1 (0.61) AURKBAURKAPTK6LCKCHEK1
SCHEMBL14507767 0.81 CHEK1 (0.47) AURKBAURKAPTK6CHEK1
SCHEMBL8241616 0.81 AURKA (0.64) AURKBAURKA
SCHEMBL8428012 0.80 AURKA (0.47) AURKBAURKAPTK6CHEK1
SCHEMBL8241480 0.80 AURKA (0.49) AURKBAURKAPTK6LCKCHEK1
SCHEMBL8248043 0.80 PIK3CD (0.44) AURKBAURKAPTK6LCK
SCHEMBL8247986 0.79 AURKA (0.45) AURKBAURKAPTK6CHEK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2009017701-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2009-02-05 — — WO disclosed
WO-2007058873-A2 IMIDAZOPYRAZINES AS CYCLIN DEPENTEND KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO 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 (2 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-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB AURKB 3/4885AURKA 2/4885PTK6 840/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 AURKB 137/4885AURKA 91/4885PTK6 692/4885

“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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