Sugi Predict

Sugi Predict / Compounds / SCHEMBL4480458

SCHEMBL4480458

SCHEMBL4480458

Nc1nc(Nc2ccccc2F)sc1C(=O)C1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 5/20 0.64
▸ CDK5R1 Q15078 5/20 0.64
▸ RAB9A P51151 4/20 0.64
▸ NPC1 O15118 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ GSK3B P49841 3/20 0.63
▸ MAPT P10636 2/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ CDK2 P24941 7/20 0.57
▸ CCNA2 P20248 6/20 0.57
▸ CLK1 P49759 1/20 0.57
▸ TP53 P04637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CHRNA7 P36544 2/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL4472108 0.83 GSK3B (0.90) CDK5CDK5R1RAB9ANPC1MEN1
SCHEMBL4480918 0.82 GSK3B (0.88) CDK5CDK5R1RAB9ANPC1MEN1
SCHEMBL4479294 0.80 GSK3B (0.64) GSK3BCDK2CCNA2TP53CHRNA7
SCHEMBL25609666 0.78 CDK5 (1.00) CDK5CDK5R1RAB9ANPC1MEN1
SCHEMBL31415156 0.78 CDK5 (1.00) CDK5CDK5R1RAB9ANPC1MEN1
SCHEMBL1247900 0.78 GSK3B (1.00) CDK5CDK5R1RAB9ANPC1MEN1
SCHEMBL4473028 0.76 GSK3B (0.73) CDK5CDK5R1RAB9ANPC1MEN1
SCHEMBL4480542 0.76 CCNA2 (0.72) CDK5CDK5R1RAB9ANPC1MEN1
SCHEMBL4474189 0.75 CCNA2 (0.74) CDK5CDK5R1RAB9ANPC1MEN1
SCHEMBL4476146 0.74 CCNA2 (0.69) CDK5CDK5R1RAB9ANPC1MEN1

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 CDK5 1039/4885CDK5R1 1256/4885RAB9A 1343/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A CDK5 1039/4885CDK5R1 1256/4885RAB9A 1343/4885

“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.