Sugi Predict

Sugi Predict / Compounds / SCHEMBL4487991

SCHEMBL4487991

SCHEMBL4487991

Nc1nc(NC2CC2)sc1C(=O)c1cc(-c2ccccc2)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 14/20 0.58
▸ CDK2 P24941 14/20 0.58
▸ CDK5 Q00535 5/20 0.48
▸ CDK5R1 Q15078 5/20 0.48
▸ GSK3B P49841 2/20 0.42
▸ USP30 Q70CQ3 1/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CCNT1 O60563 2/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ CCNB1 P14635 2/20 0.39
▸ CDK7 P50613 2/20 0.39

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
SCHEMBL3824726 0.97 CCNA2 (0.64) CCNA2CDK2CDK5CDK5R1GSK3B
SCHEMBL4487418 0.87 CCNA2 (0.53) CCNA2CDK2CDK5CDK5R1USP30
SCHEMBL4473096 0.83 CCNA2 (0.63) CCNA2CDK2CDK5CDK5R1GSK3B
SCHEMBL25217024 0.81 CCNA2 (0.62) CCNA2CDK2CDK5CDK5R1GSK3B
SCHEMBL13633823 0.81 CDK5 (0.65) CCNA2CDK2CDK5CDK5R1GSK3B
SCHEMBL13633840 0.79 CDK5 (0.53) CCNA2CDK2CDK5CDK5R1GSK3B
SCHEMBL13633910 0.79 CDK5 (0.63) CCNA2CDK2CDK5CDK5R1GSK3B
SCHEMBL4484825 0.78 KDM4E (0.43) CCNA2CDK2USP30RAB9ANPC1
SCHEMBL4476832 0.77 USP30 (0.46) USP30RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL4472754 0.77 KDM4E (0.41) CCNA2CDK2USP30RAB9ANPC1

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 11 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 claimed
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.