SCHEMBL6167086

SCHEMBL6167086

N#Cc1cccc(C2CC2(C(N)=O)c2ccc(-c3ccccc3C#N)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
ABL1 P00519 1/20 0.38
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
PTPN5 P54829 1/20 0.35
KCNH2 Q12809 1/20 0.35
CNR2 P34972 1/20 0.35
USP30 Q70CQ3 1/20 0.35
ADAM17 P78536 1/20 0.35
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
FFAR1 O14842 1/20 0.34
AKR1B1 P15121 1/20 0.34
KDR P35968 1/20 0.34
MAPK14 Q16539 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
F2R P25116 1/20 0.34
STS P08842 1/20 0.34

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
SCHEMBL6162361 0.87 F10 (0.39) ESR2ABL1KCNH2
SCHEMBL6165556 0.86 F10 (0.43) SCN9A
SCHEMBL6166094 0.85 F10 (0.37) MAPK14GPR88SCN9A
SCHEMBL6166606 0.84 ABL1 (0.35) ESR2ABL1PTPN5KCNH2CNR2
SCHEMBL6162233 0.81 ALOX5AP (0.40) USP30
SCHEMBL6162237 0.76 MAPK14 (0.34) ABL1USP30MAPK14
SCHEMBL7100220 0.71 CA1 (0.34) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6163423 0.71 CTSZ (0.38) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6167083 0.69 DEGS1 (0.48) ABL1KDRGPR88
SCHEMBL7101294 0.69 F10 (0.45) SCN9A

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 ESR2 4547/4885ABL1 1437/4885ABCB1 713/4885

“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.