SCHEMBL4470845

SCHEMBL4470845

CCc1ccccc1Nc1sc(C(=O)c2ccc(-c3ccccn3)s2)c(N)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MELK Q14680 14/20 0.53
LMNA P02545 1/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 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
SCHEMBL4476839 0.87 MELK (0.70) MELKLMNAALDH1A1MAPTGAA
SCHEMBL4486561 0.86 MELK (0.51) MELKLMNAALDH1A1MAPTGAA
SCHEMBL4487251 0.85 LMNA (0.54) MELKLMNAALDH1A1MAPTGAA
SCHEMBL4470254 0.82 ALDH1A1 (0.54) MELKLMNAALDH1A1MAPTGAA
SCHEMBL4466279 0.80 MAPT (0.54) MELKLMNAALDH1A1MAPTGAA
SCHEMBL4484012 0.80 ALDH1A1 (0.56) MELKLMNAALDH1A1MAPTGAA
SCHEMBL4480522 0.78 MAPT (0.48) MELKLMNAALDH1A1MAPTGAA
SCHEMBL4474300 0.77 MELK (0.55) MELKALDH1A1MAPTGAA
SCHEMBL4482484 0.76 MELK (0.58) MELKALDH1A1MAPTGAA
SCHEMBL4469448 0.76 MELK (0.45) MELKALDH1A1MAPTGAAHPGD

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 3735/4885LMNA 2349/4885ALDH1A1 802/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885LMNA 2349/4885ALDH1A1 802/4885

“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.