SCHEMBL4559546

SCHEMBL4559546

C=Cn1cc(C2=C(c3ccccc3)C(=O)N(OC(O)CC)C2=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 3/20 0.41
GSK3B P49841 5/20 0.38
PRKCA P17252 3/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
CCNT1 O60563 7/20 0.37
CDK9 P50750 7/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
CDK2 P24941 3/20 0.34
CCNA2 P20248 2/20 0.34
KDM4E B2RXH2 1/20 0.32
RCE1 Q9Y256 1/20 0.32
CCNE2 O96020 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
PIM1 P11309 1/20 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
SCHEMBL4565062 0.81 CAMK2D (0.53) CAMK2DGSK3BPRKCAPRKCBCCNT1
SCHEMBL4559556 0.79 GSK3B (0.38) CAMK2DGSK3BPRKCAPRKCGPRKCB
SCHEMBL4564843 0.77 CAMK2D (0.54) CAMK2DGSK3BPRKCAPRKCGPRKCB
SCHEMBL4676750 0.65 GSK3B (0.50) CAMK2DGSK3BPRKCAPRKCGPRKCB
SCHEMBL4565064 0.63 KDR (0.43) CAMK2DGSK3BPRKCAPRKCBCCNT1
SCHEMBL6949072 0.63 GSK3B (0.68) CAMK2DGSK3BCCNT1CDK9SIRT2
SCHEMBL29349877 0.63 GSK3B (0.68) CAMK2DGSK3BCCNT1CDK9SIRT2
SCHEMBL2946233 0.62 PRKCA (0.51) CAMK2DGSK3BPRKCAPRKCGPRKCB
SCHEMBL1063235 0.59 GSK3B (0.61) GSK3BPRKCACCNT1CDK9CDK2
SCHEMBL9572022 0.58 GSK3B (0.64) GSK3BPRKCACCNT1CDK9CDK2

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 CAMK2D 66/4885GSK3B 880/4885PRKCA 59/4885

“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.