SCHEMBL6164527

SCHEMBL6164527

N#Cc1ccc(Cc2cccc(C(N)=O)c2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.47
PARP2 Q9UGN5 1/20 0.46
MAPK8 P45983 2/20 0.44
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
CASP1 P29466 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
BRS3 P32247 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 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
SCHEMBL6182123 0.90 MAPK8 (0.48) PARP1PARP2MAPK8CASP1BRS3
SCHEMBL6161710 0.90 IKBKB (0.45) PARP1PARP2MAPK8SAE1UBA2
SCHEMBL6804935 0.84 TSHR (0.47) PARP1PARP2MAPK8SAE1UBA2
SCHEMBL6167445 0.81 MAPK8 (0.49) PARP1MAPK8MMP12MMP13BRS3
SCHEMBL9018807 0.75 TSHR (0.50) SAE1UBA2LOXL2MMP12MMP13
SCHEMBL8691983 0.75 TSHR (0.48) SAE1UBA2LOXL2MMP12MMP13
SCHEMBL6805162 0.74 TAS1R3 (0.43) PARP1PARP2MAPK8SAE1UBA2
SCHEMBL7106844 0.71 PARP1 (0.43) PARP1PARP2CASP1BRS3IRAK4
SCHEMBL27940858 0.71 HRH3 (0.48) PARP1LOXL2ALDH1A1MAPT
SCHEMBL28045856 0.70 BCAT2 (0.65) PARP1PARP2CASP1BRS3IRAK4

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 PARP1 1634/4885PARP2 2495/4885MAPK8 2452/4885

“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.