SCHEMBL4475200

SCHEMBL4475200

CC(C)Nc1nc(N)c(C(=O)c2cc(-c3ccc(Cl)cc3)no2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.52
CDK2 P24941 3/20 0.52
CDK5 Q00535 6/20 0.48
CDK5R1 Q15078 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
MAPT P10636 6/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
HIF1A Q16665 1/20 0.48
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
POLB P06746 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL4473020 0.90 CCNA2 (0.50) CCNA2CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL4473096 0.90 CCNA2 (0.63) CCNA2CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL3819743 0.88 SMN1; SMN2 (0.46) CCNA2CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL4487418 0.83 CCNA2 (0.53) CCNA2CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL25194165 0.81 CDK5 (0.59) CCNA2CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL4471585 0.79 NPC1 (0.45) CCNA2CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL4470846 0.78 MELK (0.58) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL30210882 0.74 NPC1 (0.38) CDK5CDK5R1SMN1; SMN2MAPTLMNA
SCHEMBL23930475 0.74 NPC1 (0.38) CDK5CDK5R1SMN1; SMN2MAPTLMNA
SCHEMBL4487991 0.73 CCNA2 (0.58) CCNA2CDK2CDK5CDK5R1SMN1; SMN2

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 11 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
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 CCNA2 4015/4885CDK2 1537/4885CDK5 1039/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A CCNA2 4015/4885CDK2 1537/4885CDK5 1039/4885

“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.