SCHEMBL6163480

SCHEMBL6163480

CCOC(=O)c1cn(Cc2cccc(C#N)c2)cc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
DRD2 P14416 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
ELANE P08246 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
F2RL3 Q96RI0 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
PDCD1 Q15116 2/20 0.41
CD274 Q9NZQ7 2/20 0.41

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
SCHEMBL7100618 0.95 POLB (0.44) POLBRXFP1DRD4DRD3DRD2
SCHEMBL7102321 0.92 POLB (0.43) POLBRXFP1FNTAFNTBELANE
SCHEMBL7105111 0.92 F2RL3 (0.45) POLBRXFP1FNTAFNTBTLR8
SCHEMBL7103244 0.91 CYP19A1 (0.44) POLBRXFP1FNTAFNTBTLR8
SCHEMBL6166443 0.90 ELANE (0.44) POLBRXFP1FNTAFNTBTLR8
SCHEMBL6238920 0.88 MAPK14 (0.47) POLBRXFP1HTT
SCHEMBL6163470 0.88 NPC1 (0.46) POLBRXFP1FNTAFNTBTLR8
SCHEMBL6162978 0.88 ELANE (0.48) POLBRXFP1FNTAFNTBTLR8
SCHEMBL7106877 0.85 PDE3B (0.42) POLBRXFP1TLR8TLR7ELANE
SCHEMBL6170073 0.85 FNTA (0.44) POLBRXFP1FNTAFNTBTLR8

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 POLB 3482/4885RXFP1 1251/4885DRD4 4417/4885

“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.