Sugi Predict

Sugi Predict / Compounds / SCHEMBL4480522

SCHEMBL4480522

SCHEMBL4480522

N#Cc1c(Nc2ccc3c(c2)CCC3)sc(C(=O)c2ccc(-c3ccccn3)s2)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ GAA P10253 1/20 0.48
▸ MELK Q14680 11/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 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
SCHEMBL4484637 0.86 MAPT (0.51) MAPTALDH1A1GAAMELKHPGD
SCHEMBL4466279 0.84 MAPT (0.54) MAPTALDH1A1GAAMELKHPGD
SCHEMBL4470254 0.83 ALDH1A1 (0.54) MAPTALDH1A1GAAMELKHPGD
SCHEMBL4484012 0.82 ALDH1A1 (0.56) MAPTALDH1A1GAAMELKHPGD
SCHEMBL4476839 0.79 MELK (0.70) MAPTALDH1A1GAAMELKHPGD
SCHEMBL4469248 0.79 MELK (0.52) MAPTALDH1A1GAAMELKHPGD
SCHEMBL4470845 0.78 MELK (0.53) MAPTALDH1A1GAAMELKHPGD
SCHEMBL4486561 0.76 MELK (0.51) MAPTALDH1A1GAAMELKHPGD
SCHEMBL4479532 0.76 MAPT (0.46) MAPTALDH1A1GAAMELKHPGD
SCHEMBL4482484 0.75 MELK (0.58) MAPTALDH1A1GAAMELKMEN1

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 MAPT 3524/4885ALDH1A1 802/4885GAA 77/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MAPT 3524/4885ALDH1A1 802/4885GAA 77/4885

“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.