SCHEMBL13157424

SCHEMBL13157424

CC(C)S(=O)(=O)c1ccc(Nc2nccn3c(-c4cnn(C)c4)cnc23)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.76
▸ AURKB Q96GD4 6/20 0.55
▸ TTK P33981 4/20 0.43
▸ MAPKAPK5 Q8IW41 2/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ PIP4K2A P48426 1/20 0.40
▸ PIP4K2B P78356 1/20 0.40
▸ PIP4K2C Q8TBX8 1/20 0.40
▸ CCNB2 O95067 4/20 0.39
▸ CDK1 P06493 4/20 0.39
▸ CCNB1 P14635 4/20 0.39
▸ CDK5 Q00535 4/20 0.39
▸ CDK5R1 Q15078 4/20 0.39
▸ CCNB3 Q8WWL7 4/20 0.39
▸ CCNT1 O60563 3/20 0.39
▸ CCNE2 O96020 3/20 0.39
▸ CCNE1 P24864 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ CDK9 P50750 3/20 0.39
▸ PTK6 Q13882 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
SCHEMBL8239765 0.89 AURKA (0.80) AURKAAURKBTTKMAPKAPK5FLT3
SCHEMBL8240172 0.86 AURKA (0.76) AURKAAURKBTTKMAPKAPK5FLT3
SCHEMBL8240846 0.86 AURKA (1.00) AURKAAURKBTTKMAPKAPK5FLT3
SCHEMBL8241730 0.85 AURKA (0.67) AURKAAURKBTTKMAPKAPK5PTK6
SCHEMBL14530382 0.83 AURKA (0.71) AURKAAURKBTTKMAPKAPK5PTK6
SCHEMBL8240292 0.82 AURKA (0.70) AURKAAURKBTTKMAPKAPK5PTK6
SCHEMBL8247273 0.82 AURKA (0.69) AURKAAURKBTTKMAPKAPK5
SCHEMBL8247167 0.82 AURKA (0.69) AURKAAURKBTTKMAPKAPK5FLT3
SCHEMBL8246763 0.81 AURKA (0.67) AURKAAURKBTTKMAPKAPK5CDK2
SCHEMBL8239751 0.80 AURKA (0.66) AURKAAURKBTTKMAPKAPK5CDK2

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 AURKA 2/4885AURKB 3/4885TTK 40/4885

“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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