SCHEMBL4742860

SCHEMBL4742860

Nc1nc2cc([C]=O)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ NUDT1 P36639 2/20 0.48
▸ MASP2 O00187 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ AOC3 Q16853 1/20 0.48
▸ FABP6 P51161 2/20 0.46
▸ 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
▸ TDP1 Q9NUW8 1/20 0.41
▸ TYMS P04818 5/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ QTRT1 Q9BXR0 1/20 0.36
▸ PNP P00491 1/20 0.36
▸ BLM P54132 2/20 0.35

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
SCHEMBL11249156 0.82 MASP2 (0.48) ALDH1A1KMT2ANUDT1MASP2MEN1
SCHEMBL4682904 0.79 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1TDP1TYMS
SCHEMBL5179156 0.77 PIN1 (0.42) KMT2AMEN1ABL1MAPTCYP3A4
SCHEMBL118057 0.75 MEN1 (0.57) ALDH1A1KMT2ANUDT1MASP2MEN1
SCHEMBL29449363 0.75 MEN1 (0.57) ALDH1A1KMT2ANUDT1MASP2MEN1
Hydrochloric Acid SCHEMBL6621838 0.73 MEN1 (0.55) ALDH1A1KMT2ANUDT1MASP2MEN1
SCHEMBL216615 0.72 HTR3E (0.72) ALDH1A1KMT2ANUDT1MASP2MEN1
SCHEMBL214526 0.72 ALDH1A1 (0.53) ALDH1A1KMT2ANUDT1MASP2MEN1
SCHEMBL726012 0.72 PLAU (0.72) ALDH1A1KMT2ANUDT1MASP2MEN1
SCHEMBL214295 0.72 ALDH1A1 (0.53) ALDH1A1KMT2ANUDT1MASP2MEN1

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 ALDH1A1 622/4885KMT2A 3854/4885NUDT1 657/4885

“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.

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