Sugi Predict

Sugi Predict / Compounds / SCHEMBL6802928

SCHEMBL6802928

SCHEMBL6802928

N#C[CH]Cc1ccc(Cl)c(Cl)c1C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.33
▸ CDC7 O00311 2/20 0.33
▸ PLK4 O00444 2/20 0.33
▸ DYRK3 O43781 2/20 0.33
▸ ROCK2 O75116 2/20 0.33
▸ PRKD3 O94806 2/20 0.33
▸ MAP4K4 O95819 2/20 0.33
▸ INSR P06213 2/20 0.33
▸ CDK1 P06493 2/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ FGFR1 P11362 2/20 0.33
▸ PRKACA P17612 2/20 0.33
▸ RPS6KB1 P23443 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ CSNK1A1 P48729 2/20 0.33
▸ CSNK1D P48730 2/20 0.33
▸ CLK2 P49760 2/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ IRAK1 P51617 2/20 0.33

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
SCHEMBL3762613 0.88 SLC6A2 (0.32) DYRK1ACDC7PLK4DYRK3ROCK2
SCHEMBL6802962 0.82 POLB (0.38) POLB
SCHEMBL2924114 0.79 ADRA1D (0.37) SLC6A2SLC6A4
SCHEMBL16649542 0.78 CDC7 (0.34) DYRK1ACDC7PLK4DYRK3ROCK2
SCHEMBL6806978 0.75 EGFR (0.31) —
SCHEMBL6806709 0.74 MTNR1A (0.35) —
SCHEMBL2928550 0.73 PARP1 (0.30) —
SCHEMBL6799994 0.73 KMT2A (0.37) RPS6KB1POLB
SCHEMBL6802462 0.73 ALDH1A1 (0.46) JAK2
SCHEMBL2924631 0.71 AOC3 (0.33) —

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-6730671-B2 ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-04 — — US disclosed
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-21 — — US disclosed
US-6608057-B2 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 — — US disclosed
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 — — US disclosed
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 — — US disclosed
EP-1159273-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-05 — — EP disclosed
WO-2000051998-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-08 — — 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-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV DYRK1A 4803/4885CDC7 1124/4885PLK4 3946/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV DYRK1A 4803/4885CDC7 1124/4885PLK4 3946/4885

“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.