Sugi Predict

Sugi Predict / Compounds / SCHEMBL4474819

SCHEMBL4474819

SCHEMBL4474819

Cc1onc(-c2ccccc2)c1C(=O)c1sc(NCCN2CCCCC2)c(C#N)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 1/20 0.48
▸ ALDH1A1 P00352 9/20 0.47
▸ MAPT P10636 5/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ LMNA P02545 4/20 0.47
▸ HTT P42858 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ POLB P06746 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL4475891 0.82 MELK (0.51) MELKALDH1A1MAPTHSD17B10HPGD
SCHEMBL4480478 0.81 ALDH1A1 (0.52) ALDH1A1MAPTHSD17B10LMNAHTT
SCHEMBL4467358 0.79 MELK (0.54) MELKALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL4489027 0.77 MELK (0.49) MELKALDH1A1MAPTHSD17B10HPGD
SCHEMBL4477934 0.77 ALDH1A1 (0.46) MELKALDH1A1MAPTHSD17B10LMNA
SCHEMBL4484695 0.77 MELK (0.57) MELKALDH1A1MAPTHSD17B10LMNA
SCHEMBL4487008 0.77 ALDH1A1 (0.51) MELKALDH1A1MAPTHSD17B10LMNA
SCHEMBL4472091 0.76 ALDH1A1 (0.47) MELKALDH1A1MAPTHSD17B10LMNA
SCHEMBL4469965 0.76 MELK (0.55) MELKALDH1A1MAPTHSD17B10LMNA
SCHEMBL4472280 0.76 ALDH1A1 (0.53) MELKALDH1A1MAPTHSD17B10LMNA

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 MELK 3735/4885ALDH1A1 802/4885MAPT 3524/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885ALDH1A1 802/4885MAPT 3524/4885

“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.