SCHEMBL6807084

SCHEMBL6807084

NC(=O)c1ccc(-c2nc(-c3ccncc3)sc2C(=O)CNC(=O)[CH]CC2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.44
DBF4 Q9UBU7 8/20 0.44
CCNE1 P24864 3/20 0.44
CDK2 P24941 3/20 0.44
TBK1 Q9UHD2 8/20 0.37
IKBKE Q14164 3/20 0.36
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.35
CYP17A1 P05093 1/20 0.34
MTOR P42345 1/20 0.33
CHEK2 O96017 1/20 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
SCHEMBL6807089 0.74 CDC7 (0.42) CDC7DBF4CCNE1CDK2TBK1
SCHEMBL7361341 0.72 CDC7 (0.42) CDC7DBF4CCNE1CDK2TBK1
SCHEMBL4070760 0.59 RAB9A (0.64)
SCHEMBL3104632 0.59 CYP17A1 (0.72) CDC7CYP17A1CHEK2
SCHEMBL16113884 0.58 CDC7 (1.00) CDC7DBF4CCNE1CDK2
Terephthalamide SCHEMBL11200537 0.58 PARP10 (0.65) CDK2MTORCHEK2
SCHEMBL10958086 0.57 CDC7 (1.00) CDC7DBF4CCNE1CDK2
SCHEMBL11119245 0.57 CDC7 (0.71) CDC7DBF4CCNE1CDK2TBK1
Hydrochloric Acid SCHEMBL4442122 0.57 CYP17A1 (0.70) CDC7CYP17A1CHEK2
SCHEMBL3210790 0.57 ALDH1A1 (0.35)

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 CDC7 1124/4885DBF4 4465/4885CCNE1 662/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV CDC7 1124/4885DBF4 4465/4885CCNE1 662/4885

“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.