SCHEMBL13932601

SCHEMBL13932601

CCn1cc(-c2ccnc3[nH]c(-c4ccc(CN5CCOCC5)cc4)cc23)c(-c2ccc(NC(O)C(C)C)cc2)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 19/20 0.74
▸ AURKB Q96GD4 19/20 0.74
▸ CDK1 P06493 1/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ CDK9 P50750 1/20 0.52
▸ CASP7 P55210 1/20 0.52
▸ PLK4 O00444 1/20 0.48
▸ CIT O14578 1/20 0.48
▸ EPHB6 O15197 1/20 0.48
▸ RIPK2 O43353 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ PRKD3 O94806 1/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ NTRK1 P04629 1/20 0.48
▸ RET P07949 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ FGFR1 P11362 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48

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
SCHEMBL14199829 0.91 AURKA (0.73) AURKAAURKBCDK1CDK2CASP3
SCHEMBL4310019 0.88 AURKA (0.82) AURKAAURKBPLK4CITEPHB6
SCHEMBL4311622 0.86 AURKA (0.75) AURKAAURKBCDK1CDK2CASP3
SCHEMBL4313570 0.85 AURKA (0.83) AURKAAURKBPLK4CITEPHB6
SCHEMBL4314921 0.85 AURKA (0.83) AURKAAURKBPLK4CITEPHB6
SCHEMBL4306936 0.85 AURKA (1.00) AURKAAURKB
SCHEMBL4306872 0.85 AURKB (1.00) AURKAAURKBPLK4CITEPHB6
SCHEMBL4305337 0.85 AURKA (1.00) AURKAAURKB
SCHEMBL4311958 0.84 AURKA (0.81) AURKAAURKBPLK4CITEPHB6
SCHEMBL4310031 0.84 AURKA (0.84) AURKAAURKBPLK4CITEPHB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495102-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORPORATION (US) 2009-02-24 — — US disclosed
US-7495102-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORPORATION (US) 2009-02-24 — — US disclosed
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION 2008-04-03 — — US disclosed
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION 2008-04-03 — — 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-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885CDK1 6/4885

“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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