SCHEMBL4461386

SCHEMBL4461386

N#Cc1c(NC2CCCC2)sc(C(N)=O)c1N

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MELK Q14680 12/20 0.42
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KLK7 P49862 1/20 0.37

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
SCHEMBL3821902 0.86 MELK (0.40) MELKALDH1A1MAPTGAAHPGD
SCHEMBL4468184 0.82 ALDH1A1 (0.50) ALDH1A1MAPTGAAHPGDPOLB
SCHEMBL13638602 0.82 BRAF (0.38) ALDH1A1MAPTPOLBKDM4E
SCHEMBL4475765 0.81 ALDH1A1 (0.65) MELKALDH1A1MAPTGAAHPGD
SCHEMBL4487980 0.80 ALDH1A1 (0.43) MELKALDH1A1MAPTGAAHPGD
SCHEMBL4471658 0.80 MAPT (0.57) MELKALDH1A1MAPTGAAHPGD
SCHEMBL4487948 0.79 ALDH1A1 (0.47) MELKALDH1A1MAPTGAAHPGD
SCHEMBL4510386 0.79 HPGD (0.39) MELKALDH1A1MAPTGAAHPGD
SCHEMBL4469960 0.78 ALDH1A1 (0.47) MELKALDH1A1MAPTGAAHPGD
SCHEMBL4473330 0.78 MELK (0.70) 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 8 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-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 802/4885MAPT 3524/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885ALDH1A1 802/4885MAPT 3524/4885

“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.