SCHEMBL6166443

SCHEMBL6166443

CCOC(=O)c1cn(Cc2cccc(C#N)c2)cc1-c1ccc(-c2cccnc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.44
ITK Q08881 1/20 0.44
PAX8 Q06710 1/20 0.44
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
DCTPP1 Q9H773 1/20 0.41
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
CYP11B2 P19099 3/20 0.41
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.41
PDK1 Q15118 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39

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 0.90 POLB (0.44) ELANEPOLBFNTAFNTBRXFP1
SCHEMBL7105111 0.86 F2RL3 (0.45) ELANEPOLBFNTAFNTBRXFP1
SCHEMBL7103244 0.85 CYP19A1 (0.44) ELANEPOLBNPC1RAB9AFNTA
SCHEMBL7100618 0.85 POLB (0.44) ELANEITKPOLBRAB9AFNTA
SCHEMBL7102321 0.84 POLB (0.43) ELANEPOLBFNTAFNTBRXFP1
SCHEMBL6162978 0.84 ELANE (0.48) ELANEPOLBNPC1RAB9AFNTA
SCHEMBL6163470 0.83 NPC1 (0.46) ELANEPOLBNPC1RAB9AFNTA
SCHEMBL6238920 0.79 MAPK14 (0.47) POLBNPC1RAB9ARXFP1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6165291 0.79 F10 (0.45) PAX8NPC1RAB9AFNTAFNTB
SCHEMBL6170073 0.78 FNTA (0.44) ELANEPOLBFNTAFNTBRXFP1

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 130/4885ITK 2189/4885PAX8 3839/4885

“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.