SCHEMBL4469216

SCHEMBL4469216

Nc1nc(Nc2c(Cl)cccc2Cl)sc1C(=O)C1CC1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.70
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
CHRNA7 P36544 14/20 0.53
CDK11A Q9UQ88 1/20 0.49
TP53 P04637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
LCK P06239 1/20 0.46

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
SCHEMBL4479294 0.95 GSK3B (0.64) GSK3BCCNA2CDK2CHRNA7CDK11A
SCHEMBL1247900 0.83 GSK3B (1.00) GSK3BCCNA2CDK2CHRNA7CDK11A
SCHEMBL4476227 0.81 CHRNA7 (0.47) GSK3BCCNA2CDK2CHRNA7CDK11A
SCHEMBL4487974 0.79 CCNA2 (0.71) GSK3BCCNA2CDK2CHRNA7LMNA
SCHEMBL4480542 0.79 CCNA2 (0.72) GSK3BCCNA2CDK2CHRNA7CDK11A
SCHEMBL1249309 0.78 GSK3B (0.77) GSK3BCCNA2CDK2CHRNA7CDK11A
SCHEMBL4472108 0.78 GSK3B (0.90) GSK3BCCNA2CDK2CHRNA7TP53
SCHEMBL4474189 0.78 CCNA2 (0.74) GSK3BCCNA2CDK2CHRNA7CDK11A
SCHEMBL4480918 0.77 GSK3B (0.88) GSK3BCCNA2CDK2CHRNA7TP53
SCHEMBL4481111 0.76 GSK3B (0.80) GSK3BCCNA2CDK2CDK11ATP53

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 GSK3B 152/4885CCNA2 4015/4885CDK2 1537/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A GSK3B 152/4885CCNA2 4015/4885CDK2 1537/4885

“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.