SCHEMBL4472590

SCHEMBL4472590

CC(C)Nc1sc(C(=O)c2ccc(Cl)c(Cl)c2)c(N)c1C#N

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MELK Q14680 14/20 0.70
MAPT P10636 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL4497311 0.80 MELK (0.56) MELKMAPTMEN1KMT2APOLB
SCHEMBL4486599 0.78 MELK (0.80) MELKMAPTMEN1KMT2AALDH1A1
SCHEMBL4470846 0.73 MELK (0.58) MELKMAPTKMT2APOLB
SCHEMBL4476767 0.72 MELK (0.50) MELKMAPTMEN1KMT2APOLB
SCHEMBL2133817 0.72 ALDH1A1 (0.67) MELKMAPTMEN1KMT2AALDH1A1
SCHEMBL4476408 0.72 MELK (0.54) MELKMAPTMEN1KMT2AALDH1A1
SCHEMBL4473013 0.71 MELK (0.47) MELKMAPTKMT2AALDH1A1POLB
SCHEMBL13633822 0.71 ALDH1A1 (0.78) MELKMAPTMEN1KMT2AALDH1A1
SCHEMBL4480757 0.70 MELK (0.63) MELKMAPTALDH1A1POLBHPGD
SCHEMBL632590 0.69 MAPT (0.80) MELKMAPTMEN1KMT2AALDH1A1

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 3524/4885MEN1 2737/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885MAPT 3524/4885MEN1 2737/4885

“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.