SCHEMBL4468601

SCHEMBL4468601

CC(C)CNc1sc(C(=O)c2cc(-c3ccccc3)no2)c(N)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MELK Q14680 14/20 0.48
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
KLK7 P49862 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3824968 0.93 MELK (0.46) MELKALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4479712 0.89 ALDH1A1 (0.48) MELKALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4480757 0.89 MELK (0.63) MELKALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL3821234 0.88 MEN1 (0.43) MELKALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4481103 0.88 MELK (0.44) MELKALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4473139 0.87 MELK (0.52) MELKALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4509611 0.87 MELK (0.56) MELKALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4473949 0.86 MELK (0.50) MELKALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4475531 0.85 USP30 (0.47) MELKALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4483834 0.85 MELK (0.48) MELKALDH1A1CYP1A2CYP2C19MAPT

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 3735/4885ALDH1A1 802/4885CYP1A2 2604/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885ALDH1A1 802/4885CYP1A2 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.