SCHEMBL4487418

SCHEMBL4487418

Nc1nc(NC2CCCC2)sc1C(=O)c1cc(-c2ccc(Cl)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.53
CDK2 P24941 3/20 0.53
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
CDK5 Q00535 4/20 0.43
CDK5R1 Q15078 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 3/20 0.39
MDM2 Q00987 3/20 0.39
TRPV1 Q8NER1 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
SCHEMBL3824726 0.90 CCNA2 (0.64) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL4487991 0.87 CCNA2 (0.58) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL4475200 0.83 CCNA2 (0.52) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL3819743 0.80 SMN1; SMN2 (0.46) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL4473963 0.79 CYP1A2 (0.46) NPC1RAB9AKDM4EUSP2ATM
SCHEMBL25194165 0.79 CDK5 (0.59) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL13711688 0.75 KDM4E (0.39) CCNA2CDK2NPC1RAB9AKDM4E
SCHEMBL4474172 0.75 CCNA2 (0.51) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL4472966 0.74 CCNA2 (0.73) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL4473020 0.74 CCNA2 (0.50) CCNA2CDK2CDK5CDK5R1NPC1

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 1537/4885PLA2G1B 288/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A CCNA2 4015/4885CDK2 1537/4885PLA2G1B 288/4885

“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.