SCHEMBL3821902

SCHEMBL3821902

N#Cc1c(NC2CCCC2)sc(C(=O)C2CC2)c1N

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MELK Q14680 10/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 3/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4461386 0.86 MELK (0.42) MELKALDH1A1HPGDMAPTGAA
SCHEMBL4468184 0.80 ALDH1A1 (0.50) ALDH1A1HPGDMAPTGAAPOLB
SCHEMBL4475765 0.79 ALDH1A1 (0.65) MELKALDH1A1HPGDMAPTGAA
SCHEMBL4487980 0.78 ALDH1A1 (0.43) MELKALDH1A1HPGDMAPTGAA
SCHEMBL4469960 0.78 ALDH1A1 (0.47) MELKALDH1A1HPGDMAPTGAA
SCHEMBL4471658 0.77 MAPT (0.57) MELKALDH1A1HPGDMAPTGAA
SCHEMBL4510386 0.77 HPGD (0.39) MELKALDH1A1HPGDMAPTGAA
SCHEMBL3823495 0.76 MAPT (0.68) MELKALDH1A1HPGDMAPTGAA
SCHEMBL4473330 0.76 MELK (0.70) MELKALDH1A1HPGDMAPTGAA
SCHEMBL4476324 0.76 ALDH1A1 (0.58) MELKALDH1A1HPGDMAPTGAA

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 15 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
EP-1742627-A4 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON INC (US) 2009-08-26 EP disclosed
CN-101031293-A Pde4b inhibitors and uses therefor PLEXXIKON INC (US) 2007-09-05 CN disclosed
EP-1742627-A2 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. (US) 2007-01-17 EP disclosed
WO-2006078287-A9 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON INC (US) 2006-08-31 WO disclosed
WO-2006078287-A2 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. (US) 2006-07-27 WO 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 802/4885HPGD 319/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885ALDH1A1 802/4885HPGD 319/4885

“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.