SCHEMBL3428385

SCHEMBL3428385

NS(=O)(=O)c1ccc(N/N=C2/CCNC(=O)c3[nH]c4ccc(Cl)cc4c32)nc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 4/20 0.70
CDK5R1 Q15078 4/20 0.70
PTGS2 P35354 8/20 0.44
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
CA12 O43570 3/20 0.36
CDK1 P06493 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA2 P20248 1/20 0.36
CA11 O75493 1/20 0.34

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
SCHEMBL3428390 1.00 CDK5 (0.70) CDK5CDK5R1PTGS2HTR1AHTR2A
SCHEMBL13341165 1.00 CDK5 (0.70) CDK5CDK5R1PTGS2HTR1AHTR2A
SCHEMBL3426282 0.90 CDK5 (0.75) CDK5CDK5R1PTGS2CA1CA2
SCHEMBL3426279 0.90 CDK5 (0.75) CDK5CDK5R1PTGS2CA1CA2
SCHEMBL13341169 0.90 CDK5 (0.75) CDK5CDK5R1PTGS2CA1CA2
SCHEMBL13341173 0.89 CDK5 (0.86) CDK5CDK5R1HTR1AHTR2AHTR7
SCHEMBL3426489 0.89 CDK5 (0.86) CDK5CDK5R1HTR1AHTR2AHTR7
SCHEMBL3426485 0.89 CDK5 (0.86) CDK5CDK5R1HTR1AHTR2AHTR7
SCHEMBL3426106 0.87 CDK5 (0.55) CDK5CDK5R1PTGS2HTR1AHTR2A
SCHEMBL13341122 0.87 CDK5 (0.55) CDK5CDK5R1PTGS2HTR1AHTR2A

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-7713958-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-05-11 US claimed
US-20090137555-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2009-05-28 US claimed
US-20050153955-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-07-14 US claimed
US-7713958-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-05-11 US disclosed
US-20090137555-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2009-05-28 US disclosed
US-7423031-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-09-09 US disclosed
US-20050153955-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-07-14 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-20050153955-A1 Compounds and compositions as protein kinase inhibitors CDK1, CDK3, CDK11A CDK5 16/4885CDK5R1 38/4885PTGS2 3936/4885
US-20090137555-A1 Compounds and Compositions as Protein Kinase Inhibitors CDK1, CDK3, CDK2 CDK5 14/4885CDK5R1 37/4885PTGS2 3868/4885

“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.