SCHEMBL4559548

SCHEMBL4559548

C=Cn1cc(C2=C(OCCCO)C(=O)N(c3ccccc3)C2=O)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.38
PRKCB P05771 2/20 0.38
PRKCA P17252 2/20 0.38
PRKCG P05129 1/20 0.38
PRKCE Q02156 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
CAMK2D Q13557 1/20 0.33
CDK4 P11802 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
CCND1 P24385 1/20 0.33
CCNB2 O95067 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
KDR P35968 1/20 0.32

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
SCHEMBL4565065 0.84 PRKCB (0.47) GSK3BPRKCBPRKCAPRKCECAMK2D
SCHEMBL4559556 0.80 GSK3B (0.38) GSK3BPRKCBPRKCAPRKCGCAMK2D
SCHEMBL4564844 0.78 CCNB2 (0.58) GSK3BPRKCBPRKCAPRKCGPRKCE
SCHEMBL4559552 0.77 S1PR1 (0.37) GSK3BPRKCBPRKCAPRKCGS1PR1
SCHEMBL4565064 0.68 KDR (0.43) GSK3BPRKCBPRKCAPRKCECAMK2D
SCHEMBL4559546 0.65 CAMK2D (0.41) GSK3BPRKCBPRKCAPRKCGCAMK2D
SCHEMBL1517960 0.65 KDM4E (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6990941 0.64 FGFR1 (0.45) MEN1KMT2A
SCHEMBL4564848 0.63 PRKCA (0.51) GSK3BPRKCBPRKCAPRKCGPRKCE
SCHEMBL2954257 0.61 GSK3B (0.43) GSK3BPRKCBPRKCAPRKCGPRKCE

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 880/4885PRKCB 55/4885PRKCA 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.