SCHEMBL5226711

SCHEMBL5226711

N#Cc1cccc(C(=O)c2cccc(N)c2N)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.50
GSK3B P49841 3/20 0.49
VNN1 O95497 10/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 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
SCHEMBL6772685 0.85 MAPK14 (0.48) MAPK14GSK3BVNN1CLK1DYRK1A
SCHEMBL5039012 0.82 MAPK14 (0.48) MAPK14GSK3BVNN1MAPTCLK1
SCHEMBL11057542 0.80 GSK3B (0.50) MAPK14GSK3BVNN1CLK1DYRK1A
SCHEMBL5042587 0.79 MAPT (0.63) MAPK14GSK3BVNN1GAAMAPT
SCHEMBL15106407 0.79 ABCC9 (0.47) MAPK14GSK3BVNN1MAPTCLK1
SCHEMBL9575571 0.78 GSK3B (0.51) MAPK14GSK3BVNN1GAACLK1
SCHEMBL4709546 0.77 KDM4E (0.48) MAPK14GSK3BVNN1
SCHEMBL9575562 0.77 GSK3B (0.54) MAPK14GSK3BVNN1MAPTCLK1
Benzene SCHEMBL28303083 0.77 MAPT (0.74) MAPK14GAAMAPT
SCHEMBL112508 0.77 MAPT (0.74) MAPK14GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
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-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
US-6417200-B1 BLOOD COAGULATION FACTOR XA IN MAMMALS ELI LILLY AND COMPANY 2002-07-09 US disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
EP-1007037-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-06-14 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO 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 (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-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 625/4885VNN1 109/4885
US-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 MAPK14 1395/4885GSK3B 442/4885VNN1 413/4885

“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.