SCHEMBL4480905

SCHEMBL4480905

Nc1nc(NC2CCCC2)sc1C(=O)c1ccccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.69
CCNA2 P20248 9/20 0.69
TP53 P04637 2/20 0.59
MAPT P10636 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
CCNT1 O60563 3/20 0.53
CDK9 P50750 3/20 0.53
CDK4 P11802 2/20 0.53
CCND1 P24385 2/20 0.53
CDK6 Q00534 1/20 0.53
CDK11A Q9UQ88 1/20 0.53
CDK5 Q00535 8/20 0.49
CDK5R1 Q15078 8/20 0.49
CDK1 P06493 2/20 0.48
CCNB1 P14635 2/20 0.48
CDK7 P50613 2/20 0.48
CCNE1 P24864 1/20 0.48
CCNH P51946 1/20 0.48
MNAT1 P51948 1/20 0.48
CDK3 Q00526 1/20 0.48

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
SCHEMBL14073899 0.86 TP53 (0.55) CDK2CCNA2TP53MAPTRXFP1
SCHEMBL14073900 0.85 TP53 (0.53) CDK2CCNA2TP53MAPTRXFP1
SCHEMBL14073882 0.84 CCNA2 (0.53) CDK2CCNA2TP53MAPTRXFP1
SCHEMBL18007075 0.82 TP53 (0.51) CDK2CCNA2TP53MAPTRXFP1
SCHEMBL18007077 0.82 TP53 (0.51) CDK2CCNA2TP53MAPTRXFP1
SCHEMBL5725811 0.81 CCNA2 (0.68) CDK2CCNA2CCNT1CDK9CDK4
SCHEMBL4472966 0.80 CCNA2 (0.73) CDK2CCNA2TP53MAPTCDK5
SCHEMBL18033683 0.79 CCNA2 (0.57) CDK2CCNA2CCNT1CDK9CDK4
SCHEMBL4486827 0.78 CCNA2 (0.64) CDK2CCNA2TP53MAPTCCNT1
SCHEMBL4475983 0.77 CCNA2 (0.67) CDK2CCNA2CDK5CDK5R1GSK3B

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 CDK2 1537/4885CCNA2 4015/4885TP53 4190/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A CDK2 1537/4885CCNA2 4015/4885TP53 4190/4885

“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.