SCHEMBL13638602

SCHEMBL13638602

NC(=O)c1sc(NC2CCCC2)c(N)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.38
PDE4A P27815 10/20 0.38
PDE4B Q07343 10/20 0.38
PDE4C Q08493 10/20 0.38
PDE4D Q08499 10/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
EEF2K O00418 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
CHRM4 P08173 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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 0.82 MELK (0.42) KDM4EALDH1A1POLBMAPT
SCHEMBL13711713 0.78 CCNA2 (0.60) CCNA2CDK2KDM4EALDH1A1LMNA
SCHEMBL27695663 0.66 MAPK10 (0.62) ALDH1A1LMNANPC1MAPTHTT
SCHEMBL10252621 0.63 ALOX15 (0.42) CCNA2CDK2KDM4EALDH1A1LMNA
SCHEMBL27724966 0.60 HCAR3 (0.40) CCNA2CDK2KDM4EALDH1A1LMNA
SCHEMBL12998885 0.60 SYK (0.52) CCNA2CDK2ALDH1A1LMNAPOLB
SCHEMBL27725018 0.59 HCAR3 (0.39) CCNA2CDK2KDM4EALDH1A1LMNA
SCHEMBL10425208 0.59 SYK (0.51) ALDH1A1LMNAPOLBNPC1MAPT
SCHEMBL7392417 0.58 TP53 (0.66) KDM4EALDH1A1LMNANPC1MAPT
SCHEMBL16075241 0.57 MAPT (0.42) EEF2KKDM4EALDH1A1LMNAPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 BRAF 1936/4885PDE4A 3/4885PDE4B 1/4885

“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.