SCHEMBL4472966

SCHEMBL4472966

Nc1nc(NC2CCCC2)sc1C(=O)c1cccc(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 9/20 0.73
CDK2 P24941 9/20 0.73
CDK5 Q00535 7/20 0.63
CDK5R1 Q15078 7/20 0.63
TP53 P04637 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL4487901 0.97 CCNA2 (0.68) CCNA2CDK2CDK5CDK5R1TP53
SCHEMBL4488370 0.85 CCNA2 (0.71) CCNA2CDK2CDK5CDK5R1TP53
SCHEMBL4483011 0.84 CCNA2 (0.69) CCNA2CDK2CDK5CDK5R1TP53
SCHEMBL4469456 0.81 CDK5 (0.71) CCNA2CDK2CDK5CDK5R1TP53
SCHEMBL4464961 0.80 CDK5 (0.66) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL4480905 0.80 CDK2 (0.69) CCNA2CDK2CDK5CDK5R1TP53
SCHEMBL18411107 0.78 CCNA2 (0.64) CCNA2CDK2CDK5CDK5R1TP53
SCHEMBL14073872 0.78 CDK5 (0.63) CCNA2CDK2CDK5CDK5R1TP53
SCHEMBL14073858 0.78 CDK5 (0.63) CCNA2CDK2CDK5CDK5R1TP53
SCHEMBL4461282 0.78 CCNA2 (0.71) CCNA2CDK2CDK5CDK5R1TP53

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 CCNA2 4015/4885CDK2 1537/4885CDK5 1039/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A CCNA2 4015/4885CDK2 1537/4885CDK5 1039/4885

“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.