Sugi Predict

Sugi Predict / Compounds / SCHEMBL4476868

SCHEMBL4476868

SCHEMBL4476868

COc1ccc(Nc2sc(C(=O)c3ccccn3)c(N)c2C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.57
▸ ALDH1A1 P00352 6/20 0.57
▸ GAA P10253 2/20 0.57
▸ HPGD P15428 5/20 0.55
▸ HTT P42858 3/20 0.55
▸ POLB P06746 3/20 0.55
▸ MAPK1 P28482 3/20 0.55
▸ LMNA P02545 4/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ MELK Q14680 2/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ RAB9A P51151 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ PKM P14618 2/20 0.49
▸ PAX8 Q06710 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL4475075 0.91 ALDH1A1 (0.59) MAPTALDH1A1GAAHPGDHTT
SCHEMBL4470254 0.85 ALDH1A1 (0.54) MAPTALDH1A1GAAHPGDHTT
SCHEMBL4473381 0.84 ALDH1A1 (0.80) MAPTALDH1A1GAAHPGDHTT
SCHEMBL2132475 0.83 ALDH1A1 (0.74) MAPTALDH1A1GAAHPGDHTT
SCHEMBL4473771 0.82 LMNA (0.50) MAPTALDH1A1GAAHPGDHTT
SCHEMBL4496937 0.82 MAPT (0.80) MAPTALDH1A1GAAHPGDHTT
SCHEMBL4477411 0.82 MAPT (0.57) MAPTALDH1A1GAAHPGDHTT
SCHEMBL4484637 0.81 MAPT (0.51) MAPTALDH1A1GAAHPGDHTT
SCHEMBL4512080 0.81 ALDH1A1 (0.71) MAPTALDH1A1GAAHPGDHTT
SCHEMBL4476614 0.81 MAPT (0.58) MAPTALDH1A1GAAHPGDHTT

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.