SCHEMBL14534020

SCHEMBL14534020

Cc1cc(Nc2nc(CCC3COC(=O)N3)cn3c(C4C=NN(C)C4)cnc23)sn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 16/20 0.42
▸ AURKA O14965 14/20 0.42
▸ LCK P06239 2/20 0.36
▸ CHEK1 O14757 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ PLK3 Q9H4B4 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL12404579 0.82 AURKA (0.54) AURKBAURKALCKCHEK1EGFR
SCHEMBL14534233 0.80 AURKB (0.45) AURKBAURKALCKCHEK1EGFR
SCHEMBL14533906 0.72 AURKA (0.51) AURKBAURKALCKCHEK1EGFR
SCHEMBL13899597 0.71 AURKA (0.43) AURKBAURKALCKCHEK1EGFR
SCHEMBL14533851 0.69 AURKB (0.47) AURKBAURKALCKCHEK1EGFR
SCHEMBL14538362 0.65 LCK (0.46) AURKBAURKALCKCHEK1EGFR
SCHEMBL14537074 0.64 LCK (0.49) AURKBAURKALCKCHEK1EGFR
SCHEMBL12473195 0.63 CHEK1 (0.53) AURKBAURKALCKCHEK1KDR
SCHEMBL12404465 0.62 AURKA (0.67) AURKBAURKALCKCHEK1EGFR
SCHEMBL8429700 0.62 AURKA (0.63) AURKBAURKACHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 — — 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-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 AURKB 24/4885AURKA 5/4885LCK 88/4885

“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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