SCHEMBL6167048

SCHEMBL6167048

N#Cc1ccc(-c2ccccc2C(C(N)=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.40
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
MAOB P27338 1/20 0.38
PARP1 P09874 2/20 0.38
IDO1 P14902 1/20 0.36
SCN9A Q15858 2/20 0.36
GRM2 Q14416 1/20 0.36
TNF P01375 1/20 0.36
BRS3 P32247 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAP4K4 O95819 1/20 0.35
MMP3 P08254 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
STAT3 P40763 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL7108450 0.88 ADRA2C (0.44) IRAK4TOP2ATOP2BMAOBTNF
SCHEMBL7101540 0.88 TNF (0.47) IRAK4TOP2ATOP2BMAOBPARP1
SCHEMBL6164469 0.81 HPGDS (0.46) MAOBTNF
SCHEMBL20529655 0.80 MEN1 (0.49) MAOBMEN1KMT2APARP15PARP10
SCHEMBL6165960 0.79 TNF (0.48) MAOBTNF
SCHEMBL27878592 0.73 TOP2A (0.52) TOP2ATOP2BMAOBMEN1KMT2A
SCHEMBL28045856 0.72 BCAT2 (0.65) IRAK4MAOBPARP1GRM2BRS3
SCHEMBL6833629 0.72 MAOB (0.42) MAOBIDO1MMP3STAT3
SCHEMBL15837550 0.72 CA12 (0.51) IRAK4MAOBIDO1MMP3STAT3
SCHEMBL20529654 0.71 CTSD (0.41) MEN1KMT2A

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 IRAK4 4257/4885TOP2A 2993/4885TOP2B 3404/4885

“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.