SCHEMBL6772685

SCHEMBL6772685

N#Cc1cccc(C(=O)c2ccc(N)c(N)c2C(=O)c2cccc(C#N)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.48
GSK3B P49841 3/20 0.47
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
VNN1 O95497 13/20 0.44
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
BTD P43251 1/20 0.39

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
SCHEMBL5226711 0.85 MAPK14 (0.50) MAPK14GSK3BCLK1DYRK1ADYRK1B
SCHEMBL5039012 0.80 MAPK14 (0.48) MAPK14GSK3BCLK1DYRK1ADYRK1B
SCHEMBL5042587 0.80 MAPT (0.63) MAPK14GSK3BCLK1DYRK1ADYRK1B
SCHEMBL4709783 0.77 VNN1 (0.52) MAPK14VNN1
SCHEMBL15106407 0.77 ABCC9 (0.47) MAPK14GSK3BCLK1DYRK1ADYRK1B
SCHEMBL8304975 0.76 MAPK14 (0.47) MAPK14GSK3BCLK1DYRK1ADYRK1B
SCHEMBL4709037 0.76 VNN1 (0.51) MAPK14GSK3BVNN1
Hydrochloric Acid SCHEMBL6771762 0.75 PRSS1 (0.47)
SCHEMBL4709546 0.75 KDM4E (0.48) MAPK14GSK3BVNN1
SCHEMBL4709399 0.75 VNN1 (0.45) MAPK14GSK3BCLK1DYRK1ADYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAPK14 1598/4885GSK3B 625/4885CLK1 3653/4885

“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.