Sugi Predict

Sugi Predict / Compounds / SCHEMBL4481111

SCHEMBL4481111

SCHEMBL4481111

Nc1nc(Nc2ccc(Oc3ccccc3)cc2)sc1C(=O)C1CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.80
▸ CCNA2 P20248 7/20 0.59
▸ CDK2 P24941 7/20 0.59
▸ MAPT P10636 4/20 0.55
▸ CDK5 Q00535 4/20 0.55
▸ CDK5R1 Q15078 4/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ LMNA P02545 2/20 0.55
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ GSK3A P49840 1/20 0.53
▸ MAPK14 Q16539 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ TP53 P04637 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.50
▸ ZAP70 P43403 1/20 0.47
▸ TUBB8B A6NNZ2 1/20 0.47

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
SCHEMBL4473028 0.96 GSK3B (0.73) GSK3BCCNA2CDK2MAPTCDK5
SCHEMBL1247900 0.89 GSK3B (1.00) GSK3BCCNA2CDK2MAPTCDK5
SCHEMBL4472108 0.84 GSK3B (0.90) GSK3BCCNA2CDK2MAPTCDK5
SCHEMBL4480918 0.83 GSK3B (0.88) GSK3BCCNA2CDK2MAPTCDK5
SCHEMBL4476146 0.83 CCNA2 (0.69) GSK3BCCNA2CDK2MAPTCDK5
SCHEMBL4486578 0.82 CCNA2 (0.79) GSK3BCCNA2CDK2MAPTCDK5
SCHEMBL4471081 0.82 CDK5 (0.78) GSK3BCCNA2CDK2MAPTCDK5
SCHEMBL1249309 0.82 GSK3B (0.77) GSK3BCCNA2CDK2MAPTCDK5
SCHEMBL4473867 0.80 MAPT (0.76) GSK3BCCNA2CDK2MAPTCDK5
SCHEMBL4473974 0.79 CDK5 (0.87) GSK3BCCNA2CDK2MAPTCDK5

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.