SCHEMBL13633823

SCHEMBL13633823

Nc1nc(Nc2ccccc2F)sc1C(=O)c1cc(-c2ccccc2)no1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 8/20 0.65
CDK5R1 Q15078 8/20 0.65
RAB9A P51151 5/20 0.65
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
NPC1 O15118 3/20 0.65
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CLK1 P49759 1/20 0.56
KDM4E B2RXH2 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CDK2 P24941 7/20 0.46
CCNA2 P20248 6/20 0.46
TP53 P04637 1/20 0.45
GSK3B P49841 2/20 0.45
GSK3A P49840 1/20 0.45
MAPK14 Q16539 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL25217024 0.86 CCNA2 (0.62) CDK5CDK5R1RAB9AMEN1KMT2A
SCHEMBL4487991 0.81 CCNA2 (0.58) CDK5CDK5R1RAB9AMEN1KMT2A
SCHEMBL4473096 0.81 CCNA2 (0.63) CDK5CDK5R1RAB9AMEN1KMT2A
SCHEMBL13633840 0.80 CDK5 (0.53) CDK5CDK5R1RAB9AMEN1KMT2A
SCHEMBL13633910 0.80 CDK5 (0.63) CDK5CDK5R1RAB9AMEN1KMT2A
SCHEMBL3819003 0.80 RAB9A (0.57) CDK5CDK5R1RAB9AMEN1KMT2A
SCHEMBL31415156 0.79 CDK5 (1.00) CDK5CDK5R1RAB9AMEN1KMT2A
SCHEMBL25609666 0.79 CDK5 (1.00) CDK5CDK5R1RAB9AMEN1KMT2A
SCHEMBL3824726 0.78 CCNA2 (0.64) CDK5CDK5R1RAB9ANPC1MAPT
SCHEMBL25198518 0.77 CDK5 (0.62) CDK5CDK5R1RAB9AMEN1KMT2A

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 7 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-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

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 CDK5 1039/4885CDK5R1 1256/4885RAB9A 1343/4885

“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.