SCHEMBL6807089

SCHEMBL6807089

Cc1ccc(-c2nc(-c3ccncc3)sc2C(=O)CNC(=O)C(N)CC2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 11/20 0.42
DBF4 Q9UBU7 11/20 0.42
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CNR1 P21554 1/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
TBK1 Q9UHD2 3/20 0.37
IKBKE Q14164 2/20 0.37
CIT O14578 1/20 0.35
PRKCI P41743 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7361341 0.84 CDC7 (0.42) CDC7DBF4CCNE1CDK2CNR1
SCHEMBL6807294 0.75 CDC7 (0.49) CDC7DBF4CCNE1CDK2
SCHEMBL6807084 0.74 CDC7 (0.44) CDC7DBF4CCNE1CDK2TBK1
SCHEMBL4529879 0.69 CIT (0.61) METAP2METAP1CIT
SCHEMBL6803053 0.66 MAPT (0.42) METAP2METAP1MAPTRAB9A
Hydrochloric Acid SCHEMBL27192735 0.65 CIT (0.55) CDK2METAP2METAP1CIT
Hydrochloric Acid SCHEMBL27206139 0.65 CIT (0.55) CDK2METAP2METAP1CIT
SCHEMBL23750067 0.62 METAP2 (0.42) METAP2METAP1
SCHEMBL1449686 0.62 SMN1; SMN2 (0.45) METAP2METAP1CITPOLBMAPT
SCHEMBL7144493 0.60 EPHX2 (0.61) RAB9A

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 5 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

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.