SCHEMBL3818264

SCHEMBL3818264

N#Cc1c(NC2CCNC2)sc(C(=O)c2cc(-c3ccccc3)no2)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 1/20 0.40
POLB P06746 2/20 0.39
MELK Q14680 4/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
CHEK1 O14757 2/20 0.36
KCNH2 Q12809 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNB2 P17787 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
SCHEMBL4476832 0.91 USP30 (0.46) USP30ALDH1A1MAPTGAAPOLB
SCHEMBL3824051 0.89 USP30 (0.44) USP30ALDH1A1MAPTGAAPOLB
SCHEMBL4467624 0.88 USP30 (0.43) USP30ALDH1A1MAPTGAAPOLB
SCHEMBL3837254 0.88 USP30 (0.39) USP30ALDH1A1MAPTGAAPOLB
SCHEMBL3816399 0.86 CHEK1 (0.41) USP30MAPTLMNACHEK1KCNH2
SCHEMBL4477957 0.84 USP30 (0.47) USP30ALDH1A1MAPTGAAPOLB
SCHEMBL4469283 0.82 MELK (0.41) USP30ALDH1A1MAPTGAAPOLB
SCHEMBL3816421 0.82 MELK (0.41) USP30ALDH1A1MAPTGAAPOLB
SCHEMBL4475531 0.81 USP30 (0.47) USP30ALDH1A1MAPTGAAPOLB
SCHEMBL4485824 0.81 USP30 (0.45) USP30ALDH1A1MAPTGAAPOLB

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 14 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
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 USP30 2232/4885ALDH1A1 802/4885MAPT 3524/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A USP30 2232/4885ALDH1A1 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.