SCHEMBL4687380

SCHEMBL4687380

N=C(N)c1ccc(-c2cccc([C]=O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.56
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
NQO2 P16083 8/20 0.47
F2 P00734 3/20 0.47
PLAU P00749 1/20 0.42
F10 P00742 1/20 0.41
FURIN P09958 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TOP1 P11387 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRMT1 Q99873 1/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL26050098 0.83 WDR5 (0.56) WDR5PRSS1PRSS2PRSS3NQO2
SCHEMBL8120643 0.80 PRSS1 (0.52) PRSS1PRSS2PRSS3F2F10
SCHEMBL4681786 0.80 KIF11 (0.43) PRSS1PRSS2PRSS3PLAUALDH1A1
SCHEMBL26081559 0.78 WDR5 (0.83) WDR5PRSS1PRSS2PRSS3NQO2
SCHEMBL2322395 0.77 ESR1 (0.61)
SCHEMBL97617 0.76 MGLL (0.45) ALDH1A1
SCHEMBL5456049 0.76 LMNA (0.52) WDR5PRSS1PRSS2PRSS3F2
SCHEMBL4021876 0.73 WDR5 (1.00) WDR5PRSS1PRSS2PRSS3NQO2
SCHEMBL4687383 0.73 TRIM24 (0.66) WDR5PRSS1PRSS2PRSS3NQO2
SCHEMBL4686377 0.73 F2 (0.76) PRSS1PRSS2PRSS3F2F10

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP claimed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US claimed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US claimed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP claimed
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP disclosed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US disclosed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US disclosed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP 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-20030109547-A1 Amidinophenylpyruvic acid derivatives HABP2, F2, F7 WDR5 4687/4885PRSS1 81/4885PRSS2 145/4885

“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.