Sugi Predict

Sugi Predict / Compounds / SCHEMBL3424541

SCHEMBL3424541

SCHEMBL3424541

O=C(O)c1ccc(N/N=C2/CCNC(=O)c3[nH]c(Br)c(Br)c32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 7/20 0.60
▸ CDK5R1 Q15078 7/20 0.60
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ GFER P55789 2/20 0.46
▸ CCNB2 O95067 2/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ CCNB1 P14635 2/20 0.42
▸ CCNB3 Q8WWL7 2/20 0.42
▸ GAA P10253 6/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PARP1 P09874 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
SCHEMBL13341106 1.00 CDK5 (0.60) CDK5CDK5R1ALDH1A1MAPTGFER
SCHEMBL3424543 1.00 CDK5 (0.60) CDK5CDK5R1ALDH1A1MAPTGFER
SCHEMBL3424813 0.84 CDK5 (0.67) CDK5CDK5R1ALDH1A1MAPTGFER
SCHEMBL13341120 0.84 CDK5 (0.67) CDK5CDK5R1ALDH1A1MAPTGFER
SCHEMBL3424811 0.84 CDK5 (0.67) CDK5CDK5R1ALDH1A1MAPTGFER
SCHEMBL13341107 0.83 CDK5 (0.60) CDK5CDK5R1ALDH1A1MAPTGFER
SCHEMBL3426130 0.83 CDK5 (0.60) CDK5CDK5R1ALDH1A1MAPTGFER
SCHEMBL3426132 0.83 CDK5 (0.60) CDK5CDK5R1ALDH1A1MAPTGFER
SCHEMBL13341109 0.82 CDK5 (0.59) CDK5CDK5R1ALDH1A1MAPTGFER
SCHEMBL3425718 0.82 CDK5 (0.59) CDK5CDK5R1ALDH1A1MAPTGFER

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 38/4885ALDH1A1 3021/4885
US-20090137555-A1 Compounds and Compositions as Protein Kinase Inhibitors CDK1, CDK3, CDK2 CDK5 14/4885CDK5R1 37/4885ALDH1A1 3258/4885

“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.