SCHEMBL4483029

SCHEMBL4483029

Cc1c(C(=O)c2sc(NC3CCCC3)nc2N)cnn1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 6/20 0.61
CDK2 P24941 6/20 0.61
MAPK1 P28482 1/20 0.47
TRPV4 Q9HBA0 1/20 0.44
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
ROCK2 O75116 1/20 0.43
SLC9A1 P19634 1/20 0.43
SLC9A2 Q9UBY0 1/20 0.43
PTGS2 P35354 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
PKM P14618 2/20 0.41
HPGD P15428 1/20 0.41
SPR P35270 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4477733 0.80 MAPK1 (0.45) MAPK1TRPV4ROCK2SLC9A1SLC9A2
SCHEMBL4486827 0.77 CCNA2 (0.64) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL4480905 0.76 CDK2 (0.69) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL2854511 0.73 SPR (0.64) MAPK1ROCK2NPC1RAB9APKM
SCHEMBL5725811 0.72 CCNA2 (0.68) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL4474829 0.72 CCNA2 (0.69) CCNA2CDK2MAPK1CDK5CDK5R1
SCHEMBL4478518 0.72 CCNA2 (0.79) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL4475983 0.70 CCNA2 (0.67) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL4475256 0.70 CCNA2 (0.66) CCNA2CDK2TRPV4CDK5CDK5R1
SCHEMBL4466530 0.70 CCNA2 (0.73) 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 1537/4885MAPK1 2364/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A CCNA2 4015/4885CDK2 1537/4885MAPK1 2364/4885

“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.