SCHEMBL4742869

SCHEMBL4742869

Nc1nc2cc(C=O)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MASP2 O00187 1/20 0.48
MEN1 O00255 1/20 0.48
NUDT1 P36639 1/20 0.48
KMT2A Q03164 1/20 0.48
AOC3 Q16853 1/20 0.48
FABP6 P51161 2/20 0.46
CYP2A6 P11509 2/20 0.44
PLAU P00749 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
BACE1 P56817 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
KIF11 P52732 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
TYMS P04818 3/20 0.39
ABL1 P00519 1/20 0.39
QTRT1 Q9BXR0 1/20 0.36

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
SCHEMBL12248517 0.86 PLAU (0.56) ALDH1A1MASP2MEN1NUDT1KMT2A
SCHEMBL2361718 0.79 CYP2A6 (0.44) ALDH1A1CYP2A6KIF11TDP1BRD4
SCHEMBL889055 0.79 CYP2A6 (0.44) ALDH1A1MEN1KMT2ACYP2A6KIF11
SCHEMBL7245705 0.79 CYP2A6 (0.44) ALDH1A1MEN1KMT2ACYP2A6KIF11
SCHEMBL19364798 0.79 CYP2A6 (0.44) ALDH1A1MEN1KMT2ACYP2A6KIF11
SCHEMBL29957251 0.79 CYP2A6 (0.44) ALDH1A1MEN1KMT2ACYP2A6KIF11
SCHEMBL14972965 0.78 ALDH1A1 (0.53) ALDH1A1MASP2MEN1NUDT1KMT2A
SCHEMBL118057 0.75 MEN1 (0.57) ALDH1A1MASP2MEN1NUDT1KMT2A
SCHEMBL29449363 0.75 MEN1 (0.57) ALDH1A1MASP2MEN1NUDT1KMT2A
SCHEMBL7649873 0.75 TDP1 (0.47) CYP2A6KIF11TDP1

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 9 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-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
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 ALDH1A1 622/4885MASP2 522/4885MEN1 1390/4885

“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.