Sugi Predict

Sugi Predict / Compounds / SCHEMBL4471081

SCHEMBL4471081

SCHEMBL4471081

Nc1nc(Nc2ccc(Oc3ccccc3)cc2)sc1C(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 6/20 0.78
▸ CDK5R1 Q15078 6/20 0.78
▸ MEN1 O00255 4/20 0.78
▸ KMT2A Q03164 4/20 0.78
▸ MAPT P10636 2/20 0.78
▸ LMNA P02545 1/20 0.78
▸ NPC1 O15118 3/20 0.76
▸ CCNA2 P20248 10/20 0.74
▸ CDK2 P24941 10/20 0.74
▸ GSK3A P49840 1/20 0.74
▸ GSK3B P49841 1/20 0.74
▸ RAB9A P51151 1/20 0.74
▸ MAPK14 Q16539 1/20 0.74
▸ TDP1 Q9NUW8 1/20 0.74
▸ TUBB8B A6NNZ2 1/20 0.64
▸ TUBB4A P04350 1/20 0.64
▸ TUBB P07437 1/20 0.64
▸ TUBB4B P68371 1/20 0.64
▸ TUBB3 Q13509 1/20 0.64
▸ TUBB2A Q13885 1/20 0.64

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
SCHEMBL4486578 0.98 CCNA2 (0.79) CDK5CDK5R1MEN1KMT2AMAPT
SCHEMBL4473974 0.95 CDK5 (0.87) CDK5CDK5R1MEN1KMT2AMAPT
SCHEMBL25609769 0.94 CCNA2 (0.81) CDK5CDK5R1MEN1KMT2AMAPT
SCHEMBL4487774 0.92 CDK5 (0.68) CDK5CDK5R1MEN1KMT2AMAPT
SCHEMBL4473183 0.88 CCNA2 (0.88) CDK5CDK5R1MEN1KMT2AMAPT
SCHEMBL163591 0.88 CDK5 (0.91) CDK5CDK5R1MEN1KMT2AMAPT
SCHEMBL1250849 0.88 CDK5 (1.00) CDK5CDK5R1MEN1KMT2AMAPT
SCHEMBL4465180 0.87 CCNA2 (0.82) CDK5CDK5R1MEN1KMT2AMAPT
SCHEMBL4473692 0.86 CCNA2 (0.85) CDK5CDK5R1MEN1KMT2AMAPT
SCHEMBL4397229 0.86 MEN1 (1.00) CDK5CDK5R1MEN1KMT2AMAPT

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 1256/4885MEN1 2737/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A CDK5 1039/4885CDK5R1 1256/4885MEN1 2737/4885

“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.