SCHEMBL6164552

SCHEMBL6164552

CNC(=O)c1cn(Cc2cccc(C#N)c2)cc1Cc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
KLKB1 P03952 4/20 0.46
KLK1 P06870 2/20 0.46
GLS O94925 1/20 0.44
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 0.42
TYK2 P29597 3/20 0.42
JAK3 P52333 3/20 0.42
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ADRA1D P25100 1/20 0.41
FAAH O00519 1/20 0.39
SNCA P37840 1/20 0.39
CLPP Q16740 1/20 0.38
CHRM3 P20309 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
IDH1 O75874 1/20 0.38
CCR3 P51677 1/20 0.38

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
SCHEMBL7105089 0.91 KLKB1 (0.46) BRD4KLKB1KLK1GLSCYP19A1
SCHEMBL7101526 0.88 CYP19A1 (0.43) BRD4KLKB1KLK1CYP19A1CYP11B1
SCHEMBL6165929 0.87 ADRA1D (0.52) BRD4KLKB1KLK1JAK2JAK1
SCHEMBL6181404 0.85 KLKB1 (0.44) BRD4KLKB1KLK1GLSCLPP
SCHEMBL6163869 0.84 POLB (0.45) KLKB1KLK1CYP19A1CYP11B1CYP11B2
SCHEMBL7106232 0.84 CYP11B1 (0.43) BRD4KLKB1KLK1GLSCYP19A1
SCHEMBL7106871 0.83 BRD4 (0.44) BRD4KLKB1KLK1GLSSNCA
SCHEMBL7102332 0.83 KLKB1 (0.39) BRD4KLKB1KLK1GLSCYP19A1
SCHEMBL7105122 0.83 KLKB1 (0.39) BRD4KLKB1KLK1CYP19A1CYP11B1
SCHEMBL7101493 0.82 CACNA1F (0.41) BRD4KLKB1KLK1GLSCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI BRD4 2818/4885KLKB1 530/4885KLK1 692/4885

“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.