SCHEMBL4466491

SCHEMBL4466491

COC(=O)C(CC(C)C)Nc1sc(C(=O)c2ccc(C)cc2C)c(N)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MELK Q14680 14/20 0.51
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KLK7 P49862 1/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 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
SCHEMBL4471914 0.87 MELK (0.46) MELKKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL4472106 0.85 MELK (0.55) MELK
SCHEMBL4479270 0.85 MELK (0.56) MELKKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL4471882 0.83 MELK (0.49) MELKPOLBALDH1A1MAPTLMNA
SCHEMBL4486396 0.80 MELK (0.46) MELKPOLBALDH1A1MAPT
SCHEMBL4476408 0.79 MELK (0.54) MELKKDM4ECYP1A2CYP2C19POLB
SCHEMBL4487530 0.79 MELK (0.47) MELKPOLBALDH1A1MAPT
SCHEMBL4477646 0.79 MELK (0.44) MELKKDM4ECYP1A2CYP2C19POLB
SCHEMBL4476362 0.78 MELK (0.48) MELKCYP1A2CYP2C19POLBALDH1A1
SCHEMBL4489057 0.77 MELK (0.45) MELKCYP1A2CYP3A4CYP2C19POLB

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 3735/4885KDM4E 1483/4885CYP1A2 2604/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885KDM4E 1483/4885CYP1A2 2604/4885

“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.