SCHEMBL4475983

SCHEMBL4475983

Nc1nc(NC2CCCC2)sc1C(=O)c1nc2ccccc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 6/20 0.67
CDK2 P24941 6/20 0.67
MAOB P27338 1/20 0.56
FAAH O00519 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
CDK5 Q00535 2/20 0.48
CDK5R1 Q15078 2/20 0.48
CNR1 P21554 2/20 0.47
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DPP4 P27487 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 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
SCHEMBL4480905 0.77 CDK2 (0.69) CCNA2CDK2NPC1RAB9ACDK5
SCHEMBL4473325 0.77 MAOB (0.50) CCNA2CDK2MAOBFAAHALDH1A1
SCHEMBL16666128 0.76 NPC1 (0.62) MAOBALDH1A1MEN1NPC1RAB9A
SCHEMBL1821019 0.75 NPC1 (0.64) MAOBALDH1A1MEN1NPC1RAB9A
SCHEMBL4478518 0.75 CCNA2 (0.79) CCNA2CDK2MEN1NPC1RAB9A
SCHEMBL4474829 0.75 CCNA2 (0.69) CCNA2CDK2MEN1NPC1RAB9A
SCHEMBL4479346 0.74 CCNA2 (0.65) CCNA2CDK2NPC1RAB9ACDK5
SCHEMBL3824726 0.74 CCNA2 (0.64) CCNA2CDK2NPC1RAB9ACDK5
SCHEMBL4461282 0.74 CCNA2 (0.71) CCNA2CDK2MEN1NPC1RAB9A
SCHEMBL119611 0.73 NPC1 (0.58) MAOBALDH1A1MEN1NPC1RAB9A

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 10 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-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 1537/4885MAOB 383/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A CCNA2 4015/4885CDK2 1537/4885MAOB 383/4885

“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.