Sugi Predict

Sugi Predict / Compounds / SCHEMBL4479346

SCHEMBL4479346

SCHEMBL4479346

Nc1nc(NC2CCCC2)sc1C(=O)c1ccc(-c2ccccn2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 8/20 0.65
▸ CDK2 P24941 8/20 0.65
▸ CDK5 Q00535 8/20 0.47
▸ CDK5R1 Q15078 8/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ CHRNA7 P36544 2/20 0.45
▸ MAPK14 Q16539 2/20 0.43
▸ MAPK11 Q15759 1/20 0.43
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL4474829 0.86 CCNA2 (0.69) CCNA2CDK2CDK5CDK5R1HDAC1
SCHEMBL4469248 0.78 MELK (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4475983 0.74 CCNA2 (0.67) CCNA2CDK2CDK5CDK5R1KDM4E
SCHEMBL4475256 0.74 CCNA2 (0.66) CCNA2CDK2CDK5CDK5R1MAPK14
SCHEMBL4480905 0.74 CDK2 (0.69) CCNA2CDK2CDK5CDK5R1MAPK14
SCHEMBL6407727 0.73 ALDH1A1 (0.48) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL4472966 0.72 CCNA2 (0.73) CCNA2CDK2CDK5CDK5R1KDM4E
SCHEMBL4478518 0.72 CCNA2 (0.79) CCNA2CDK2CDK5CDK5R1MAPK14
SCHEMBL27623934 0.71 KDM4E (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4488370 0.71 CCNA2 (0.71) CCNA2CDK2CDK5CDK5R1KDM4E

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.