SCHEMBL4564847

SCHEMBL4564847

CN(C)CCCn1cc(C2=CC(=O)N(c3ccc(OCCCO)cc3)C2=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 3/20 0.51
CDK1 P06493 3/20 0.51
CCNB1 P14635 3/20 0.51
CCNB3 Q8WWL7 3/20 0.51
PRKACA P17612 3/20 0.47
PRKACG P22612 3/20 0.47
PRKACB P22694 3/20 0.47
PRKCA P17252 7/20 0.45
PIM1 P11309 2/20 0.45
PRKCB P05771 6/20 0.43
PRKCH P24723 3/20 0.43
PRKCQ Q04759 3/20 0.43
PRKCD Q05655 3/20 0.43
PRKCE Q02156 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GSK3B P49841 2/20 0.42
TSHR P16473 2/20 0.42
PRKD1 Q15139 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL4565063 0.90 MAPT (0.41) PRKACAPRKACGPRKACBPRKCAPRKCB
SCHEMBL4559552 0.79 S1PR1 (0.37) PRKCAPRKCBSMN1; SMN2GSK3BTSHR
SCHEMBL4564844 0.78 CCNB2 (0.58) CCNB2CDK1CCNB1CCNB3PRKACA
SCHEMBL10433663 0.78 PRKCA (0.57) CCNB2CDK1CCNB1CCNB3PRKACA
SCHEMBL8923158 0.73 GSK3B (0.47) PRKACAPRKACGPRKACBPRKCAPIM1
SCHEMBL8476624 0.69 PRKACA (0.63) CCNB2CDK1CCNB1CCNB3PRKACA
SCHEMBL4565065 0.66 PRKCB (0.47) CCNB2CDK1CCNB1CCNB3PRKACA
SCHEMBL4564848 0.66 PRKCA (0.51) CCNB2CDK1CCNB1CCNB3PRKACA
SCHEMBL25282614 0.66 CAMK2D (0.57) PRKACAPRKACGPRKACBPIM1CDK2
SCHEMBL8482610 0.65 PRKACA (0.47) CCNB2CDK1CCNB1CCNB3PRKACA

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-7608634-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-10-27 US disclosed
US-20070213387-A1 Substituted pyrrolines as kinase inhibitors ZHANG HAN-CHENG 2007-09-13 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-20070213387-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK CCNB2 1756/4885CDK1 333/4885CCNB1 2166/4885

“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.