SCHEMBL4475879

SCHEMBL4475879

COc1ccc(C(=O)c2sc(NC3CCCC3)c(C#N)c2N)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MELK Q14680 6/20 0.52
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LPAR1 Q92633 2/20 0.42
ABCC1 P33527 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
GAA P10253 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
SCHEMBL4504289 0.92 MELK (0.55) MELKMEN1KMT2ANPC1RAB9A
SCHEMBL4473330 0.85 MELK (0.70) MELKMEN1KMT2AGAA
SCHEMBL2136772 0.84 MELK (0.52) MELKMEN1KMT2AABCC1ABCG2
SCHEMBL4488929 0.84 MELK (0.44) MELKLPAR1ABCC1ABCG2NPC1
SCHEMBL4475791 0.82 ALDH1A1 (0.49) MELKMEN1KMT2AGAA
SCHEMBL631695 0.82 ALDH1A1 (0.54) MELKMEN1KMT2AABCC1ABCG2
SCHEMBL4488949 0.81 MELK (0.71) MELKMEN1KMT2AGAA
SCHEMBL4474711 0.79 MELK (0.47) MELKMEN1KMT2ANPC1RAB9A
SCHEMBL4472471 0.78 MELK (0.51) MELKGAA
SCHEMBL631443 0.77 ALDH1A1 (0.49) MELKMEN1KMT2ANPC1RAB9A

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 3735/4885MEN1 2737/4885KMT2A 2234/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885MEN1 2737/4885KMT2A 2234/4885

“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.