SCHEMBL4559556

SCHEMBL4559556

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
CCNT1 O60563 4/20 0.35
CDK9 P50750 4/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
SENP8 Q96LD8 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
GAA P10253 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
POLB P06746 1/20 0.33
APOBEC3A P31941 1/20 0.33

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
SCHEMBL4565064 0.84 KDR (0.43) GSK3BPRKCBPRKCACCNT1CDK9
SCHEMBL4564848 0.80 PRKCA (0.51) GSK3BPRKCGPRKCBPRKCACCNT1
SCHEMBL4559546 0.79 CAMK2D (0.41) GSK3BPRKCGPRKCBPRKCACCNT1
SCHEMBL4559552 0.62 S1PR1 (0.37) GSK3BPRKCGPRKCBPRKCAALDH1A1
SCHEMBL28369857 0.62 CCNT1 (0.56) GSK3BPRKCACCNT1CDK9POLB
SCHEMBL4565062 0.60 CAMK2D (0.53) GSK3BPRKCBPRKCACCNT1CDK9
SCHEMBL3599227 0.60 TLR9 (0.46) GSK3BPRKCGPRKCBPRKCAALDH1A1
SCHEMBL28374646 0.59 SIRT2 (0.63) ALDH1A1SIRT2TDP1KMT2AMEN1
SCHEMBL4676818 0.58 PRKCB (0.48) GSK3BPRKCGPRKCBPRKCACDK2
SCHEMBL30834685 0.58 CCNT1 (0.74) GSK3BPRKCGPRKCBPRKCACCNT1

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 GSK3B 880/4885PRKCG 154/4885PRKCB 55/4885

“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.