SCHEMBL4681791

SCHEMBL4681791

N=C(N)Nc1ccc(-c2cccc(C=O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
KIF11 P52732 1/20 0.43
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CNR1 P21554 2/20 0.40
KCNH2 Q12809 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
C1S P09871 1/20 0.40
CSF1R P07333 1/20 0.39
FLT1 P17948 1/20 0.39
FLT3 P36888 1/20 0.39
CDK8 P49336 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 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
SCHEMBL7131886 0.82 UNG (0.42) TRIM24TRIM33
SCHEMBL15331203 0.80 SMN1; SMN2 (0.59) TRIM24TRIM33CA12CA1CA2
SCHEMBL4687383 0.80 TRIM24 (0.66) TRIM24TRIM33CA12CA1CA2
SCHEMBL3724602 0.78 ALDH5A1 (0.43)
SCHEMBL11770226 0.78 TRIM24 (0.71) TRIM24TRIM33CA12CA1CA2
SCHEMBL3277604 0.78 HSD17B1 (0.59) KIF11CNR1
SCHEMBL27114725 0.78 MAOA (0.52) CA12CA1CA2CA9KIF11
SCHEMBL27846380 0.76 WDR5 (0.54) CA12CA1CA2CA9PTPN1
SCHEMBL27621710 0.76 TRIM24 (0.68) TRIM24TRIM33CA12CA1CA2
SCHEMBL399197 0.76 KIF11 (0.48) KIF11PTPN1PTPN11

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 TRIM24 3455/4885TRIM33 4587/4885CA12 3110/4885

“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.