SCHEMBL6541909

SCHEMBL6541909

CCOC(=O)Cc1ccc(N)c(N)c1C(=O)c1cccc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
SETD7 Q8WTS6 1/20 0.42
ALOX15 P16050 1/20 0.40
GSK3B P49841 2/20 0.40
GRM5 P41594 3/20 0.39
ELANE P08246 1/20 0.39
VNN1 O95497 2/20 0.39
CYP1A2 P05177 1/20 0.38
GAA P10253 2/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL6541759 0.82 HDAC1 (0.39) SETD7ALOX15GRM5VNN1MAPT
SCHEMBL6772685 0.75 MAPK14 (0.48) GSK3BVNN1CLK1DYRK1ADYRK1B
SCHEMBL6541985 0.74 HTT (0.47) PDCD1CD274SETD7ALOX15GRM5
SCHEMBL1659817 0.72 GSK3B (0.57) PDCD1CD274SETD7ALOX15GSK3B
SCHEMBL5725267 0.72 PDCD1 (0.54) PDCD1CD274ALOX15GRM5CYP1A2
SCHEMBL30088453 0.72 PDCD1 (0.54) PDCD1CD274ALOX15GRM5CYP1A2
SCHEMBL23832289 0.72 PDCD1 (0.45) PDCD1CD274ALOX15ALDH1A1CNR2
SCHEMBL30154496 0.72 PDCD1 (0.45) PDCD1CD274ALOX15ALDH1A1CNR2
SCHEMBL30088492 0.72 PDCD1 (0.45) PDCD1CD274ALOX15ALDH1A1CNR2
SCHEMBL15752905 0.72 PDCD1 (0.45) PDCD1CD274ALOX15ALDH1A1CNR2

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
EP-1007037-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-10-06 EP disclosed
US-6677369-B2 CARBOXIMIDAMIDE DERIVATIVE ANTICOAGULANTS INHIBIT FACTOR XA ELI LILLY AND COMPANY 2004-01-13 US disclosed
US-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates BEIGHT DOUGLAS WADE (US) 2003-10-16 US disclosed
US-6417200-B1 BLOOD COAGULATION FACTOR XA IN MAMMALS ELI LILLY AND COMPANY 2002-07-09 US disclosed
EP-1007037-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-06-14 EP disclosed
WO-1999000127-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates F12, F11, F2 PDCD1 1660/4885CD274 1982/4885SETD7 1753/4885

“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.