SCHEMBL13633851

SCHEMBL13633851

C=C(c1sc(Nc2ccc(Cl)cc2)nc1N)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 5/20 0.55
CDK2 P24941 5/20 0.55
GSK3B P49841 3/20 0.52
CHRNA7 P36544 3/20 0.48
CDK5 Q00535 5/20 0.47
CDK5R1 Q15078 4/20 0.47
NPC1 O15118 3/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCNT1 O60563 4/20 0.41
CDK4 P11802 4/20 0.41
CCND1 P24385 4/20 0.41
CDK9 P50750 4/20 0.41
CDK6 Q00534 4/20 0.41
CDK11A Q9UQ88 4/20 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
SCHEMBL4474189 0.86 CCNA2 (0.74) CCNA2CDK2GSK3BCHRNA7CDK5
SCHEMBL4480542 0.84 CCNA2 (0.72) CCNA2CDK2GSK3BCHRNA7CDK5
SCHEMBL20142165 0.73 CDK5 (0.55) CCNA2CDK2GSK3BCDK5CDK5R1
SCHEMBL4480918 0.73 GSK3B (0.88) CCNA2CDK2GSK3BCHRNA7CDK5
SCHEMBL4398263 0.72 CDK5 (0.72) CCNA2CDK2GSK3BCDK5CDK5R1
SCHEMBL4472108 0.72 GSK3B (0.90) CCNA2CDK2GSK3BCHRNA7CDK5
SCHEMBL4476146 0.71 CCNA2 (0.69) CCNA2CDK2GSK3BCDK5CDK5R1
SCHEMBL13534575 0.70 CHEK1 (0.52) GSK3BCHRNA7CDK5CDK5R1
SCHEMBL7757586 0.69 CCNA2 (0.82) CCNA2CDK2GSK3BCDK5CDK5R1
SCHEMBL1249309 0.69 GSK3B (0.77) CCNA2CDK2GSK3BCHRNA7CDK5

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 4 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 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

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 CCNA2 4015/4885CDK2 1537/4885GSK3B 152/4885

“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.