Sugi Predict

Sugi Predict / Compounds / SCHEMBL4470139

SCHEMBL4470139

SCHEMBL4470139

COc1ccc(OC)c(C(=O)c2sc(Nc3ccccc3F)c(C#N)c2N)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 3/20 0.59
▸ MAPT P10636 10/20 0.53
▸ LMNA P02545 6/20 0.53
▸ TP53 P04637 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ CLK1 P49759 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL4473035 0.93 MELK (0.59) MELKMAPTLMNATP53ALDH1A1
SCHEMBL4466089 0.88 LMNA (0.52) MELKMAPTLMNATP53ALDH1A1
SCHEMBL4487871 0.84 MAPT (0.55) MELKMAPTLMNAALDH1A1HPGD
SCHEMBL4474619 0.83 ALDH1A1 (0.56) MELKMAPTLMNAALDH1A1HPGD
SCHEMBL13633907 0.81 ALDH1A1 (0.54) MELKMAPTLMNAALDH1A1HPGD
SCHEMBL4465938 0.81 LMNA (0.52) MELKMAPTLMNATP53ALDH1A1
SCHEMBL2136772 0.81 MELK (0.52) MELKMAPTLMNATP53ALDH1A1
SCHEMBL4476854 0.78 MELK (0.49) MELKMAPTLMNAALDH1A1HPGD
SCHEMBL4504289 0.77 MELK (0.55) MELKMAPTALDH1A1HTTPOLB
SCHEMBL631695 0.77 ALDH1A1 (0.54) MELKMAPTLMNAALDH1A1HPGD

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 3735/4885MAPT 3524/4885LMNA 2349/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885MAPT 3524/4885LMNA 2349/4885

“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.