SCHEMBL6165929

SCHEMBL6165929

N#Cc1ccc(Cc2cn(Cc3cccc(C#N)c3)cc2C(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.52
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
MAPK8 P45983 2/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
JAK2 O60674 3/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 2/20 0.39
BRD4 O60885 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CCR2 P41597 1/20 0.38
FAAH O00519 1/20 0.38
KDM1A O60341 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA1A P35348 1/20 0.37
FFAR1 O14842 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
SCHEMBL7101526 0.90 CYP19A1 (0.43) ADRA1DSIRT2SIRT1CYP19A1CYP11B1
SCHEMBL6164552 0.87 BRD4 (0.50) ADRA1DSIRT2SIRT1CYP19A1CYP11B1
SCHEMBL6163869 0.84 POLB (0.45) ADRA1DCYP19A1CYP11B1CYP11B2KLKB1
SCHEMBL7105089 0.84 KLKB1 (0.46) ADRA1DSIRT2SIRT1CYP19A1CYP11B1
SCHEMBL7102332 0.83 KLKB1 (0.39) ADRA1DSIRT2SIRT1CYP19A1CYP11B1
SCHEMBL7105122 0.82 KLKB1 (0.39) ADRA1DSIRT2SIRT1CYP19A1CYP11B1
SCHEMBL7108911 0.82 POLB (0.42) ADRA1DSIRT2SIRT1CYP19A1CYP11B1
SCHEMBL7105601 0.82 SIRT2 (0.40) ADRA1DSIRT2SIRT1CYP19A1CYP11B1
SCHEMBL7101493 0.81 CACNA1F (0.41) ADRA1DSIRT2SIRT1CYP19A1CYP11B1
SCHEMBL7108337 0.81 BRD4 (0.40) ADRA1DSIRT2SIRT1CYP19A1CYP11B1

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 ADRA1D 1745/4885SIRT2 1626/4885SIRT1 900/4885

“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.