SCHEMBL4477496

SCHEMBL4477496

COc1cccc(C(=O)c2sc(NC(C)C)nc2N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 8/20 1.00
CDK5R1 Q15078 8/20 1.00
KDM4E B2RXH2 1/20 1.00
TP53 P04637 1/20 1.00
HTT P42858 1/20 1.00
GSK3A P49840 1/20 1.00
GSK3B P49841 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
HIF1A Q16665 1/20 1.00
MAPT P10636 3/20 0.72
LMNA P02545 2/20 0.72
CCNA2 P20248 5/20 0.72
CDK2 P24941 5/20 0.72
ZAP70 P43403 1/20 0.63
CDK4 P11802 1/20 0.60
CCND1 P24385 1/20 0.60
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 2/20 0.53
TUBB8B A6NNZ2 1/20 0.53

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
SCHEMBL4469456 0.83 CDK5 (0.71) CDK5CDK5R1KDM4ETP53HTT
SCHEMBL4478062 0.83 CCNA2 (0.87) CDK5CDK5R1KDM4ETP53HTT
SCHEMBL1250778 0.83 CCNA2 (1.00) CDK5CDK5R1KDM4ETP53HTT
SCHEMBL4488370 0.82 CCNA2 (0.71) CDK5CDK5R1KDM4ETP53HTT
SCHEMBL13638659 0.81 CDK5 (0.68) CDK5CDK5R1KDM4ETP53HTT
SCHEMBL4473183 0.79 CCNA2 (0.88) CDK5CDK5R1KDM4ETP53HTT
SCHEMBL4478651 0.79 MEN1 (0.79) CDK5CDK5R1KDM4ETP53HTT
SCHEMBL4481106 0.78 CCNA2 (0.77) CDK5CDK5R1KDM4ETP53HTT
SCHEMBL6191974 0.76 ZAP70 (0.71) CDK5CDK5R1KDM4ETP53HTT
SCHEMBL6194343 0.76 ZAP70 (0.71) CDK5CDK5R1KDM4ETP53HTT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-20060041006-A1 PDE4B inhibitors and uses therefor PLEXXIKON, INC. 2006-02-23 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 (2 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-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A CDK5 1039/4885CDK5R1 1256/4885KDM4E 1483/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A CDK5 1039/4885CDK5R1 1256/4885KDM4E 1483/4885

“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.