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SCHEMBL3427684

SCHEMBL3427684

CC(=O)NC1=NC(=O)C(=C2CCNC(=O)c3[nH]c4ccc(Br)cc4c32)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 5/20 0.52
▸ CDK5R1 Q15078 4/20 0.52
▸ CCNB2 O95067 1/20 0.52
▸ CDK1 P06493 1/20 0.52
▸ CCNB1 P14635 1/20 0.52
▸ CCNB3 Q8WWL7 1/20 0.52
▸ GSK3B P49841 2/20 0.42
▸ MAPKAPK2 P49137 6/20 0.41
▸ GRM2 Q14416 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ PLK4 O00444 1/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ DYRK3 O43781 1/20 0.35
▸ JAK2 O60674 1/20 0.35

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
SCHEMBL13341105 1.00 CDK5 (0.52) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL3427678 1.00 CDK5 (0.52) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL3426076 0.82 CDK5 (0.46) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL3426079 0.82 CDK5 (0.46) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL3426570 0.81 CDK5 (0.77) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL13341095 0.81 CDK5 (0.77) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL3426574 0.81 CDK5 (0.77) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL3425190 0.72 CDK5 (0.42) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL3425188 0.72 CDK5 (0.42) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL3001277 0.71 MAPT (0.52) CDK5CDK5R1CCNB2CDK1CCNB1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423031-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-09-09 — — US claimed
US-20050153955-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-07-14 — — US claimed
WO-2004098520-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2004-11-18 — — WO 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
WO-2004098520-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2004-11-18 — — WO 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 38/4885CCNB2 59/4885
US-20090137555-A1 Compounds and Compositions as Protein Kinase Inhibitors CDK1, CDK3, CDK2 CDK5 14/4885CDK5R1 37/4885CCNB2 78/4885

“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.