SCHEMBL3426469

SCHEMBL3426469

NC1=NC(=O)C(=C2CCNC(=O)c3[nH]c4ccc([N+](=O)[O-])cc4c32)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
CDK5 Q00535 8/20 0.41
CDK5R1 Q15078 8/20 0.41
CCNB2 O95067 6/20 0.41
CDK1 P06493 6/20 0.41
CCNB1 P14635 6/20 0.41
CCNB3 Q8WWL7 6/20 0.41
CHEK1 O14757 4/20 0.41
CDK4 P11802 3/20 0.41
ERBB2 P04626 2/20 0.41
GSK3B P49841 6/20 0.39
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
PARP1 P09874 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL3426466 1.00 MAPT (0.56) MAPTTDP1LMNAHTTNCOA1
SCHEMBL3425190 0.86 CDK5 (0.42) MAPTTDP1LMNAHTTNCOA1
SCHEMBL3425188 0.86 CDK5 (0.42) MAPTTDP1LMNAHTTNCOA1
SCHEMBL3423063 0.84 CDK5 (0.48) MAPTLMNACDK5CDK5R1CCNB2
SCHEMBL3429343 0.84 CDK5 (0.45) MAPTLMNACDK5CDK5R1CCNB2
SCHEMBL3429340 0.84 CDK5 (0.45) MAPTLMNACDK5CDK5R1CCNB2
SCHEMBL3426079 0.84 CDK5 (0.46) MAPTLMNACDK5CDK5R1CCNB2
SCHEMBL3423058 0.84 CDK5 (0.48) MAPTLMNACDK5CDK5R1CCNB2
SCHEMBL3426076 0.84 CDK5 (0.46) MAPTLMNACDK5CDK5R1CCNB2
SCHEMBL3427595 0.83 CDK5 (0.39) MAPTTDP1LMNAHTTNCOA1

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-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
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 MAPT 1666/4885TDP1 658/4885LMNA 1252/4885
US-20090137555-A1 Compounds and Compositions as Protein Kinase Inhibitors CDK1, CDK3, CDK2 MAPT 1424/4885TDP1 955/4885LMNA 1085/4885

“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.