SCHEMBL5454355

SCHEMBL5454355

CN1CCN(c2nccc(N3Cc4[nH]nc(NC(=O)c5ccc(C(C)(C)C)cc5)c4C3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.51
AURKB Q96GD4 8/20 0.49
ABL1 P00519 4/20 0.48
BCR P11274 3/20 0.48
PLK1 P53350 2/20 0.48
ALK Q9UM73 2/20 0.47
LIMK1 P53667 3/20 0.47
FLT3 P36888 2/20 0.47
LIMK2 P53671 2/20 0.47
AURKC Q9UQB9 2/20 0.47
CDK2 P24941 4/20 0.46
NTRK1 P04629 3/20 0.46
RET P07949 3/20 0.46
FGFR1 P11362 3/20 0.46
PLK4 O00444 2/20 0.46
JAK2 O60674 2/20 0.46
MAP4K4 O95819 2/20 0.46
LCK P06239 2/20 0.46
FYN P06241 2/20 0.46
FES P07332 2/20 0.46

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
SCHEMBL5454404 0.92 AURKA (0.49) AURKAAURKBABL1BCRPLK1
SCHEMBL5456582 0.91 AURKA (0.52) AURKAAURKBABL1BCRPLK1
SCHEMBL5451779 0.90 AURKA (0.49) AURKAAURKBABL1BCRPLK1
SCHEMBL5446062 0.88 AURKA (0.49) AURKAAURKBABL1BCRPLK1
SCHEMBL5454354 0.84 SMN1; SMN2 (0.42) AURKAABL1BCRFLT3LCK
SCHEMBL5457243 0.84 AURKA (0.47) AURKAAURKBABL1BCRPLK1
SCHEMBL5495916 0.83 AURKA (0.55) AURKAAURKBALKCDK2CCNA2
SCHEMBL5446945 0.82 AURKA (0.61) AURKAAURKBABL1BCRPLK1
SCHEMBL5454345 0.82 AURKA (0.53) AURKAAURKBABL1BCRPLK1
SCHEMBL5449349 0.82 AURKA (0.51) AURKAAURKBALKCDK2CCNA2

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-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 179/4885AURKB 233/4885ABL1 940/4885

“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.