Sugi Predict

Sugi Predict / Compounds / SCHEMBL4479398

SCHEMBL4479398

SCHEMBL4479398

COc1ccc(Nc2sc(C(=O)c3cnn(-c4ccccc4)c3C)c(N)c2C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.56
▸ NPC1 O15118 5/20 0.56
▸ PKM P14618 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.54
▸ POLB P06746 2/20 0.54
▸ MAPT P10636 7/20 0.53
▸ GAA P10253 1/20 0.53
▸ HPGD P15428 3/20 0.52
▸ HTT P42858 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ LMNA P02545 3/20 0.49
▸ MELK Q14680 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ MAPK14 Q16539 1/20 0.46

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
SCHEMBL4471923 0.85 ALDH1A1 (0.53) RAB9ANPC1ALDH1A1POLBMAPT
SCHEMBL4472002 0.85 ALDH1A1 (0.46) RAB9ANPC1PKMALDH1A1POLB
SCHEMBL4477402 0.83 MELK (0.58) RAB9ANPC1PKMALDH1A1POLB
SCHEMBL4476979 0.82 ALDH1A1 (0.47) RAB9ANPC1PKMALDH1A1POLB
SCHEMBL4473381 0.81 ALDH1A1 (0.80) RAB9AALDH1A1POLBMAPTGAA
SCHEMBL4477733 0.80 MAPK1 (0.45) RAB9ANPC1PKMALDH1A1POLB
SCHEMBL4475799 0.80 ALDH1A1 (0.47) RAB9ANPC1PKMALDH1A1POLB
SCHEMBL4476614 0.80 MAPT (0.58) RAB9AALDH1A1POLBMAPTGAA
SCHEMBL4471685 0.80 NPC1 (0.48) RAB9ANPC1PKMALDH1A1POLB
SCHEMBL4477646 0.79 MELK (0.44) RAB9ANPC1PKMALDH1A1POLB

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 RAB9A 1343/4885NPC1 2068/4885PKM 1071/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A RAB9A 1343/4885NPC1 2068/4885PKM 1071/4885

“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.