Sugi Predict

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SCHEMBL4473183

SCHEMBL4473183

COc1cccc(C(=O)c2sc(Nc3ccc(Oc4ccccc4)cc3)nc2N)c1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 6/20 0.88
▸ CDK2 P24941 6/20 0.88
▸ CDK5 Q00535 8/20 0.79
▸ CDK5R1 Q15078 8/20 0.79
▸ ZAP70 P43403 1/20 0.78
▸ MEN1 O00255 4/20 0.71
▸ KMT2A Q03164 4/20 0.71
▸ MAPT P10636 3/20 0.71
▸ LMNA P02545 1/20 0.71
▸ NPC1 O15118 3/20 0.69
▸ TUBB8B A6NNZ2 1/20 0.67
▸ TUBB4A P04350 1/20 0.67
▸ TUBB P07437 1/20 0.67
▸ TUBB4B P68371 1/20 0.67
▸ TUBB3 Q13509 1/20 0.67
▸ TUBB2A Q13885 1/20 0.67
▸ TUBB8 Q3ZCM7 1/20 0.67
▸ TUBB6 Q9BUF5 1/20 0.67
▸ TUBB2B Q9BVA1 1/20 0.67
▸ TUBB1 Q9H4B7 1/20 0.67

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
SCHEMBL4478062 0.94 CCNA2 (0.87) CCNA2CDK2CDK5CDK5R1ZAP70
SCHEMBL1250778 0.94 CCNA2 (1.00) CCNA2CDK2CDK5CDK5R1ZAP70
SCHEMBL4473974 0.90 CDK5 (0.87) CCNA2CDK2CDK5CDK5R1ZAP70
SCHEMBL4486578 0.90 CCNA2 (0.79) CCNA2CDK2CDK5CDK5R1ZAP70
SCHEMBL4465180 0.89 CCNA2 (0.82) CCNA2CDK2CDK5CDK5R1ZAP70
SCHEMBL163591 0.88 CDK5 (0.91) CCNA2CDK2CDK5CDK5R1ZAP70
SCHEMBL4471081 0.88 CDK5 (0.78) CCNA2CDK2CDK5CDK5R1ZAP70
SCHEMBL4476842 0.86 MAPT (0.73) CCNA2CDK2CDK5CDK5R1ZAP70
SCHEMBL6183126 0.85 ZAP70 (0.75) CCNA2CDK2CDK5CDK5R1ZAP70
SCHEMBL4477981 0.84 CDK5 (0.81) CCNA2CDK2CDK5CDK5R1ZAP70

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.