SCHEMBL6162978

SCHEMBL6162978

CCOC(=O)c1cn(Cc2cccc(C#N)c2)cc1-c1ccc(-c2ccccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.48
RXFP1 Q9HBX9 1/20 0.44
POLB P06746 1/20 0.42
MAPK14 Q16539 1/20 0.42
TGFBR1 P36897 3/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
GRM5 P41594 2/20 0.40
BRS3 P32247 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 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
SCHEMBL6163480 0.88 POLB (0.44) ELANERXFP1POLBFNTAFNTB
SCHEMBL7105111 0.86 F2RL3 (0.45) ELANERXFP1POLBFNTAFNTB
SCHEMBL7103244 0.85 CYP19A1 (0.44) ELANERXFP1POLBFNTAFNTB
SCHEMBL7102321 0.84 POLB (0.43) ELANERXFP1POLBFNTAFNTB
SCHEMBL6166443 0.84 ELANE (0.44) ELANERXFP1POLBFNTAFNTB
SCHEMBL7100618 0.83 POLB (0.44) ELANERXFP1POLBFNTAFNTB
SCHEMBL6238920 0.81 MAPK14 (0.47) RXFP1POLBMAPK14HTTNPC1
SCHEMBL6163470 0.81 NPC1 (0.46) ELANERXFP1POLBFNTAFNTB
Trifluoroacetic Acid SCHEMBL7106469 0.80 F10 (0.45) FNTAFNTB
SCHEMBL7108632 0.79 RXFP1 (0.39) ELANERXFP1POLBFNTAFNTB

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 ELANE 130/4885RXFP1 1251/4885POLB 3482/4885

“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.