SCHEMBL5158053

SCHEMBL5158053

O=Cc1nccnc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 5/20 0.42
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
BLM P54132 1/20 0.42
AGER Q15109 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39
CYP1A2 P05177 1/20 0.37
HCAR2 Q8TDS4 2/20 0.35
NAPRT Q6XQN6 2/20 0.35
MYC P01106 1/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL13697276 0.80 PDE3B (0.36) ALDH1A1KMT2A
SCHEMBL23971147 0.80 KDM4E (0.41) KDM4EMAPTALDH1A1TSHRL3MBTL1
Formic Acid SCHEMBL27879436 0.78 KDM4E (0.46) KDM4EMAPTALDH1A1TSHRL3MBTL1
SCHEMBL69939 0.77 KDM4E (0.54) KDM4EMAPTALDH1A1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL9356765 0.75 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRL3MBTL1
SCHEMBL6345905 0.75 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRL3MBTL1
SCHEMBL27875395 0.75 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRL3MBTL1
Water SCHEMBL335807 0.75 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRL3MBTL1
SCHEMBL29113117 0.75 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRL3MBTL1
SCHEMBL28058447 0.75 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRL3MBTL1

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
US-20230143425-A1 IMPROVEMENTS RELATED TO SORBENT MEDIA GENESIS SYSTEMS LLC 2023-05-11 US disclosed
CN-114685508-A Preparation method of 6- (5-chloro-2-pyridyl) -pyrrolo [3,4-b ] pyrazine-5, 7-dione 江苏天士力帝益药业有限公司 2022-07-01 CN disclosed
CN-114621192-A Synthesis method of pyrazine-2, 3-dicarboxylic acid bis [ (5-chloro-pyridin-2-yl) -amide ] 江苏天士力帝益药业有限公司 2022-06-14 CN disclosed
EP-1233013-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2007-02-28 EP disclosed
US-7160874-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-01-09 US disclosed
US-20050070485-A1 Antagonistic activity to alpha 4 integrin; treating asthma, rheumatoid arthritis; N-[1-N,N-dimethylaminocarbonylcyclopropane-1-ylcarbonyl]-4-({[5-chloro-2-(methylthio)pyrimidine-4-yl]carbonyl}-amino)-L-phenylalanine AJINOMOTO CO., INC. (JP) 2005-03-31 US disclosed
US-6855706-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2005-02-15 US disclosed
EP-1233013-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2002-08-21 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-20050070485-A1 Antagonistic activity to alpha 4 integrin; treating asthma, rheumatoid arthritis; N-[1-N,N-dimethylaminocarbonylcyclopropane-1-ylcarbonyl]-4-({[5-chloro-2-(methylthio)pyrimidine-4-yl]carbonyl}-amino)-L-phenylalanine ITGB4, ITGA4, ITGAL KDM4E 420/4885MAPT 4025/4885ALDH1A1 912/4885

“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.