SCHEMBL6161710

SCHEMBL6161710

N#Cc1ccc(Cc2cccc(C(N)=O)c2-c2cccc(C#N)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
PARP1 P09874 3/20 0.44
MAPK8 P45983 2/20 0.43
CDC7 O00311 1/20 0.43
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
ADRA2C P18825 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ROCK2 O75116 1/20 0.40
RORC P51449 1/20 0.39
ADRA1D P25100 1/20 0.39
FFAR1 O14842 1/20 0.39
CSF1R P07333 1/20 0.39
CASP1 P29466 1/20 0.38
MME P08473 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
SCHEMBL6167445 0.91 MAPK8 (0.49) IKBKBCHUKPARP1MAPK8CDC7
SCHEMBL6164527 0.90 PARP1 (0.47) PARP1MAPK8MMP12MMP13PARP2
SCHEMBL6182123 0.88 MAPK8 (0.48) IKBKBCHUKPARP1MAPK8CDC7
SCHEMBL6804935 0.80 TSHR (0.47) PARP1MAPK8PARP2CYP11B1CYP11B2
SCHEMBL6165692 0.73 ADRA2C (0.55) IKBKBCHUKPARP1MAPK8CDC7
SCHEMBL6165929 0.73 ADRA1D (0.52) PARP1MAPK8CYP11B1CYP11B2ADRA1D
SCHEMBL20703692 0.72 BCAT2 (0.59) IKBKBCHUKPARP1CDC7XDH
SCHEMBL9018807 0.71 TSHR (0.50) MMP12MMP13CYP11B1CYP11B2SAE1
SCHEMBL8691983 0.71 TSHR (0.48) MMP12MMP13FFAR1SAE1UBA2
SCHEMBL6163618 0.71 ADRA2C (0.52) IKBKBCHUKPARP1CDC7XDH

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 IKBKB 1303/4885CHUK 297/4885PARP1 1634/4885

“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.