SCHEMBL6329925

SCHEMBL6329925

Cc1nn(-c2ccc(F)c(C#N)c2)c2c1CCN(c1ccc(Br)cc1)C2=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.54
PDE4B Q07343 8/20 0.54
PDE4C Q08493 8/20 0.54
PDE4D Q08499 8/20 0.54
F10 P00742 12/20 0.41
F2 P00734 2/20 0.40

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
SCHEMBL6329569 0.84 F10 (0.53) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL6329687 0.81 F10 (0.52) F10F2
SCHEMBL6332763 0.78 F10 (0.53) F10F2
SCHEMBL5442687 0.77 F10 (0.55) F10F2
SCHEMBL1995254 0.74 F10 (0.66) F10F2
SCHEMBL1995836 0.74 F10 (0.65) F10F2
SCHEMBL6332868 0.72 F10 (0.49) F10F2
SCHEMBL4594085 0.72 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL5451329 0.70 F10 (0.58) F10F2
SCHEMBL6331651 0.70 F10 (0.39) F10F2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858616-B2 Nitrogen containing heterobicycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-02-22 US disclosed
EP-1140941-B1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-10-20 EP disclosed
US-20030069237-A1 Nitrogen containing heterobicycles as factor Xa inhibitors FEVIG JOHN M (US) 2003-04-10 US disclosed
US-6413980-B1 INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES; ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-02 US disclosed
EP-1140941-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000039131-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 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 (1 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-20030069237-A1 Nitrogen containing heterobicycles as factor Xa inhibitors F12, F11, F10 PDE4A 3098/4885PDE4B 3304/4885PDE4C 2312/4885

“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.