SCHEMBL14533906

SCHEMBL14533906

Cc1cc(Nc2nc(C3CCCNC3)cn3c(C4C=NN(C)C4)cnc23)sn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 14/20 0.51
▸ AURKB Q96GD4 13/20 0.51
▸ CHEK1 O14757 4/20 0.48
▸ CDK2 P24941 2/20 0.48
▸ CCNA2 P20248 1/20 0.48
▸ CCNA1 P78396 1/20 0.48
▸ LCK P06239 2/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ PLK3 Q9H4B4 1/20 0.36

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
SCHEMBL14534093 0.83 AURKA (0.53) AURKAAURKBCHEK1CDK2CCNA2
SCHEMBL13899597 0.82 AURKA (0.43) AURKAAURKBCHEK1CDK2CCNA2
SCHEMBL14529991 0.80 CHEK1 (0.64) AURKAAURKBCHEK1CDK2CCNA2
SCHEMBL8246082 0.80 CHEK1 (0.64) AURKAAURKBCHEK1CDK2CCNA2
SCHEMBL14530381 0.79 AURKA (0.56) AURKAAURKBCHEK1CDK2CCNA2
SCHEMBL13954940 0.78 AURKB (0.81) AURKAAURKBCHEK1CDK2LCK
SCHEMBL14542649 0.76 CHEK1 (0.66) CHEK1CDK2CCNA2CCNA1
SCHEMBL8429700 0.73 AURKA (0.63) AURKAAURKBCHEK1
SCHEMBL14534233 0.73 AURKB (0.45) AURKAAURKBCHEK1CDK2LCK
SCHEMBL14534020 0.72 AURKB (0.42) AURKAAURKBCHEK1CDK2LCK

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 AURKA 5/4885AURKB 24/4885CHEK1 27/4885

“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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