SCHEMBL4031398

SCHEMBL4031398

CN1CCN(c2ccccc2C(=O)Nc2n[nH]c3c2CN(C(=O)Cc2ccccc2)C3)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 18/20 0.75
ABL1 P00519 4/20 0.57
BCR P11274 3/20 0.57
PLK1 P53350 2/20 0.57
CDK2 P24941 7/20 0.55
CCNA2 P20248 5/20 0.55
CCNA1 P78396 5/20 0.55
AURKB Q96GD4 8/20 0.53
ALK Q9UM73 2/20 0.53
NTRK1 P04629 3/20 0.51
RET P07949 3/20 0.51
FGFR1 P11362 3/20 0.51
LIMK1 P53667 3/20 0.51
PLK4 O00444 2/20 0.51
JAK2 O60674 2/20 0.51
MAP4K4 O95819 2/20 0.51
LCK P06239 2/20 0.51
FYN P06241 2/20 0.51
FES P07332 2/20 0.51
LYN P07948 2/20 0.51

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
SCHEMBL2918897 0.86 AURKA (1.00) AURKAABL1BCRPLK1CDK2
SCHEMBL4031393 0.84 AURKA (0.53) AURKAABL1BCRPLK1CDK2
SCHEMBL2919281 0.78 CDK2 (0.81) AURKAABL1BCRPLK1CDK2
SCHEMBL2915930 0.77 AURKA (0.80) AURKAABL1BCRPLK1CDK2
SCHEMBL2917581 0.77 AURKA (1.00) AURKAABL1BCRPLK1CDK2
SCHEMBL2916018 0.74 AURKA (0.69) AURKAABL1BCRPLK1CDK2
SCHEMBL2917423 0.74 CCNA2 (0.72) AURKAABL1BCRPLK1CDK2
SCHEMBL2923322 0.73 AURKA (1.00) AURKAABL1BCRPLK1CDK2
SCHEMBL2921962 0.71 CDK2 (1.00) AURKACDK2CCNA2CCNA1CDK1
SCHEMBL2916455 0.71 CCNA2 (0.55) AURKACDK2CCNA2CCNA1AURKB

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-7531531-B2 Method of treating diseases associated with altered kinase activity with bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-05-12 US disclosed
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-08-16 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-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885ABL1 367/4885BCR 747/4885

“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.