SCHEMBL5454404

SCHEMBL5454404

CC(C)(C)c1ccc(C(=O)Nc2n[nH]c3c2CN(c2ccnc(N4CCN(CCO)CC4)n2)C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 18/20 0.49
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
PLK1 P53350 1/20 0.42
CCNA2 P20248 6/20 0.42
CDK2 P24941 6/20 0.42
CCNA1 P78396 6/20 0.42
AURKB Q96GD4 5/20 0.41
FLT3 P36888 1/20 0.41
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
AURKC Q9UQB9 1/20 0.41
ALK Q9UM73 1/20 0.40

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
SCHEMBL5454355 0.92 AURKA (0.51) AURKAABL1BCRPLK1CCNA2
SCHEMBL5451960 0.90 CCNA2 (0.51) AURKAABL1BCRPLK1CCNA2
SCHEMBL5446062 0.89 AURKA (0.49) AURKAABL1BCRPLK1CCNA2
SCHEMBL5456582 0.88 AURKA (0.52) AURKAABL1BCRPLK1CCNA2
SCHEMBL5451779 0.87 AURKA (0.49) AURKAABL1BCRPLK1CCNA2
SCHEMBL5454400 0.85 ACHE (0.39) AURKACCNA2CDK2CCNA1
SCHEMBL5451914 0.82 PAK4 (0.42) AURKACCNA2CDK2CCNA1AURKB
SCHEMBL5454345 0.81 AURKA (0.53) AURKAABL1BCRPLK1CCNA2
SCHEMBL5495916 0.81 AURKA (0.55) AURKACCNA2CDK2CCNA1AURKB
SCHEMBL5446945 0.80 AURKA (0.61) AURKAABL1BCRPLK1CCNA2

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-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-02-15 US claimed
US-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-02-15 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-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K7, MAP3K19 AURKA 179/4885ABL1 940/4885BCR 1697/4885

“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.