SCHEMBL6167445

SCHEMBL6167445

N#Cc1cccc(Cc2cccc(C(N)=O)c2-c2cccc(C#N)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.49
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
ADRA1D P25100 1/20 0.45
CDC7 O00311 1/20 0.44
MEP1A Q16819 1/20 0.41
MEP1B Q16820 1/20 0.41
XDH P47989 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
ADRA2C P18825 1/20 0.41
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MPO P05164 1/20 0.40
LMNA P02545 1/20 0.40
PARP1 P09874 1/20 0.39
IDH1 O75874 1/20 0.39
CSF1R P07333 1/20 0.39
EPHX1 P07099 1/20 0.39
BRS3 P32247 1/20 0.39
ROCK2 O75116 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
SCHEMBL6161710 0.91 IKBKB (0.45) MAPK8IKBKBCHUKADRA1DCDC7
SCHEMBL6182123 0.91 MAPK8 (0.48) MAPK8IKBKBCHUKADRA1DCDC7
SCHEMBL6164527 0.81 PARP1 (0.47) MAPK8MMP12MMP13PARP1BRS3
SCHEMBL3859503 0.73 GSK3B (0.50) MAPK8ADRA1DMEP1AMEP1BIDH1
SCHEMBL20703692 0.73 BCAT2 (0.59) IKBKBCHUKADRA1DCDC7XDH
SCHEMBL6165692 0.72 ADRA2C (0.55) MAPK8IKBKBCHUKADRA1DCDC7
SCHEMBL6163618 0.71 ADRA2C (0.52) IKBKBCHUKADRA1DCDC7XDH
SCHEMBL6697163 0.71 ADRA1D (0.43) MAPK8IKBKBCHUKADRA1DMEP1A
SCHEMBL17461870 0.70 XDH (0.57) IKBKBCHUKCDC7XDHSLC22A12
SCHEMBL8374850 0.70 PARP14 (0.42) MAPK8IKBKBCHUKADRA1DCDC7

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 MAPK8 2452/4885IKBKB 1303/4885CHUK 297/4885

“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.