Sugi Predict

Sugi Predict / Compounds / SCHEMBL4476394

SCHEMBL4476394

SCHEMBL4476394

N#Cc1c(NC2CCOC2=O)sc(C(=O)c2ccccn2)c1N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ MAPT P10636 4/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MELK Q14680 9/20 0.38
▸ PIP4K2A P48426 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4469448 0.86 MELK (0.45) ALDH1A1MAPTGAAHPGDMAPK1
SCHEMBL4471831 0.85 MAPT (0.48) ALDH1A1MAPTGAAHPGDLMNA
SCHEMBL4500686 0.82 ALDH1A1 (0.46) ALDH1A1MAPTGAAHPGDLMNA
SCHEMBL4477479 0.82 ALDH1A1 (0.44) ALDH1A1MAPTGAAHPGDLMNA
SCHEMBL4478053 0.81 ALDH1A1 (0.42) ALDH1A1MAPTGAAHPGDLMNA
SCHEMBL4473958 0.80 ALDH1A1 (0.47) ALDH1A1MAPTGAAHPGDLMNA
SCHEMBL4481173 0.78 ALDH1A1 (0.41) ALDH1A1MAPTGAAHPGDLMNA
SCHEMBL4484007 0.77 ALDH1A1 (0.46) ALDH1A1MAPTGAAHPGDLMNA
SCHEMBL4478561 0.77 L3MBTL1 (0.41) ALDH1A1MAPTHPGDMAPK1HTT
SCHEMBL4478969 0.75 MELK (0.46) ALDH1A1MAPTGAALMNAHTT

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