SCHEMBL14534093

SCHEMBL14534093

CN1CC(c2cnc3c(Nc4cc(C5CCCNC5)ns4)nccn23)C=N1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.53
▸ AURKB Q96GD4 7/20 0.53
▸ CHEK1 O14757 7/20 0.38
▸ CCNA2 P20248 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CCNA1 P78396 2/20 0.38
▸ FLT3 P36888 1/20 0.33
▸ ADORA3 P0DMS8 4/20 0.31

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
SCHEMBL8429700 0.91 AURKA (0.63) AURKAAURKBCHEK1FLT3ADORA3
SCHEMBL14533906 0.83 AURKA (0.51) AURKAAURKBCHEK1CCNA2CDK2
SCHEMBL14533907 0.79 AURKA (0.54) AURKAAURKBADORA3
SCHEMBL8241235 0.78 AURKA (0.81) AURKAAURKBCHEK1CCNA2CDK2
SCHEMBL14534143 0.78 AURKA (0.59) AURKAAURKBFLT3ADORA3
SCHEMBL13954832 0.76 AURKB (0.68) AURKAAURKBCHEK1CDK2
SCHEMBL8426673 0.74 AURKA (0.56) AURKAAURKBADORA3
SCHEMBL8241241 0.73 AURKA (0.90) AURKAAURKBCHEK1CCNA2CDK2
SCHEMBL8427761 0.73 AURKA (0.36) AURKAAURKBADORA3
SCHEMBL14534037 0.71 AURKA (0.64) AURKAAURKBADORA3

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-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 — — 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-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A AURKA 41/4885AURKB 138/4885CHEK1 1/4885

“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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