SCHEMBL3819743

SCHEMBL3819743

CC(C)CNc1nc(N)c(C(=O)c2cc(-c3ccc(Cl)cc3)no2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
CDK5 Q00535 4/20 0.43
MAPT P10636 4/20 0.43
CDK5R1 Q15078 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
BRCA1 P38398 1/20 0.43
CCNA2 P20248 5/20 0.40
CDK2 P24941 5/20 0.40
PTPN1 P18031 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL4471585 0.90 NPC1 (0.45) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL4475200 0.88 CCNA2 (0.52) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL25194165 0.80 CDK5 (0.59) SMN1; SMN2NPC1LMNAKMT2APOLB
SCHEMBL4487418 0.80 CCNA2 (0.53) SMN1; SMN2NPC1RAB9ALMNACDK5
SCHEMBL4473020 0.78 CCNA2 (0.50) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL4473096 0.78 CCNA2 (0.63) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL30210882 0.72 NPC1 (0.38) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL23930475 0.72 NPC1 (0.38) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL3853232 0.72 MELK (0.39) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL4487991 0.71 CCNA2 (0.58) SMN1; SMN2NPC1RAB9AKMT2ACDK5

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 claimed
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 SMN1; SMN2 1379/4885NPC1 2068/4885RAB9A 1343/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A SMN1; SMN2 1379/4885NPC1 2068/4885RAB9A 1343/4885

“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.