SCHEMBL4565064

SCHEMBL4565064

CCC(O)OC1=C(c2cn(CCO)c3ccccc23)C(=O)N(c2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.43
FLT3 P36888 2/20 0.43
GSK3B P49841 2/20 0.43
CCNT1 O60563 4/20 0.42
CDK9 P50750 4/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
CDK2 P24941 2/20 0.40
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CAMK2D Q13557 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCE Q02156 1/20 0.40
CCNA2 P20248 1/20 0.39
CCNB2 O95067 3/20 0.39
CDK1 P06493 3/20 0.39
CCNB1 P14635 3/20 0.39
CCNB3 Q8WWL7 3/20 0.39

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
SCHEMBL4564848 0.88 PRKCA (0.51) FLT3GSK3BCCNT1CDK9SIRT2
SCHEMBL4559556 0.84 GSK3B (0.38) GSK3BCCNT1CDK9SIRT2CDK2
SCHEMBL4565065 0.81 PRKCB (0.47) KDRFLT3GSK3BCCNT1CDK9
SCHEMBL4565062 0.78 CAMK2D (0.53) KDRFLT3GSK3BCCNT1CDK9
SCHEMBL4564844 0.74 CCNB2 (0.58) FLT3GSK3BSIRT2CDK2CDK4
SCHEMBL28661599 0.70 CCNT1 (0.64) KDRFLT3GSK3BCCNT1CDK9
SCHEMBL4559548 0.68 GSK3B (0.38) KDRFLT3GSK3BCCNT1CDK9
SCHEMBL28659415 0.68 GSK3B (0.66) KDRFLT3GSK3BCDK2CDK4
SCHEMBL14522482 0.68 GSK3B (0.69) KDRFLT3GSK3BCCNT1CDK9
SCHEMBL3155154 0.67 CCNT1 (0.58) CCNT1CDK9CDK2CDK4CCND1

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 KDR 643/4885FLT3 370/4885GSK3B 880/4885

“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.