SCHEMBL588905

SCHEMBL588905

Nc1nc(C(=O)O)c(N)nc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
PDPK1 O15530 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 3/20 0.38
ALOX15 P16050 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ACMSD Q8TDX5 1/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
PLAU P00749 8/20 0.36
HIF1A Q16665 1/20 0.36
NAPRT Q6XQN6 1/20 0.34
SLC22A1 O15245 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
HTR1A P08908 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL591832 0.97 TDP1 (0.43) TDP1PDPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2518975 0.91 TDP1 (0.43) TDP1PDPK1ALDH1A1MAPTSMN1; SMN2
Water SCHEMBL11775578 0.88 TDP1 (0.41) TDP1PDPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29153182 0.88 ALDH1A1 (0.46) TDP1PDPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL26312990 0.87 TDP1 (0.38) TDP1PDPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL17628560 0.85 PLAU (0.44) TDP1PDPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29768708 0.82 TDP1 (0.57) TDP1PDPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3793535 0.82 TDP1 (0.57) TDP1PDPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3800959 0.82 GABRP (0.41) TDP1PDPK1ALDH1A1TSHRKDM4E
SCHEMBL11771827 0.82 PDPK1 (0.50) TDP1PDPK1ALDH1A1MAPTSMN1; SMN2

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 452 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116438164-B Method for preparing 3, 6-diaminopyrazine-2, 5-dicarboxylic acid and synthetic intermediate thereof HANGZHOU ZHONGMEI HUADONG PHARMACEUTICAL Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-114555087-B Anodic oxidation of 5-aminouracil 麦迪贝肯有限公司 2025-04-18 CN claimed
WO-2025055882-A1 MB-102 RELATED COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2025-03-20 WO claimed
CN-117769543-A Method for preparing pyrazine carboxylic acid derivatives as fluorescent tracers 杭州中美华东制药有限公司 2024-03-26 CN claimed
EP-4313172-A1 PREPARATION OF SUBSTITUTED DIAMINOPYRAZINE DICARBOXYLIC ACIDS Medibeacon Inc. (US) 2024-02-07 EP claimed
US-20240025864-A1 METHOD FOR PREPARING 3,6-DIAMINOPYRAZINE-2,5-DICARBOXYLIC ACID AND SYNTHETIC INTERMEDIATE THEREOF HANGZHOU ZHONGMEIHUADONG PHARMACEUTICAL CO., LTD. (CN) 2024-01-25 US claimed
CN-117241839-A Preparation of substituted diaminopyrazine dicarboxylic acids 麦迪贝肯有限公司 2023-12-15 CN claimed
EP-4242209-A1 METHOD FOR PREPARING 3,6-DIAMINOPYRAZINE-2,5-DICARBOXYLIC ACID AND SYNTHETIC INTERMEDIATE THEREOF Hangzhou Zhongmeihuadong Pharmaceutical Co., Ltd. (CN) 2023-09-13 EP claimed
US-11708336-B2 Anodic oxidation of 5-aminouracil MEDIBEACON INC. (US) 2023-07-25 US claimed
CN-116438164-A Method for preparing 3, 6-diaminopyrazine-2, 5-dicarboxylic acid and synthetic intermediate thereof 杭州中美华东制药有限公司 2023-07-14 CN claimed
US-20160045619-A1 METHODS OF USING OPTICAL AGENTS MALLINCKRODT INC. 2016-02-18 US claimed
WO-2015070256-A1 COMPOSITIONS AND METHODS FOR ASSESSING GUT FUNCTION DORSHOW RICHARD B (US) 2015-05-14 WO claimed
EP-1986701-B1 OPTICAL AGENTS FOR USE IN SURGERY MALLINCKRODT LLC (US) 2012-06-13 EP claimed
EP-2135863-A1 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function Mallinckrodt, Inc. (US) 2009-12-23 EP claimed
EP-2039688-A1 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function Mallinckrodt, Inc. (US) 2009-03-25 EP claimed
US-20080312539-A1 Methods of Using Optical Agents MEDIBEACON, INC. 2008-12-18 US claimed
EP-1986701-A2 PROCESS FOR USING OPTICAL AGENTS MALLINCKRODT, INC. (US) 2008-11-05 EP claimed
EP-1836175-A2 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION MALLINCKRODT, INC. (US) 2007-09-26 EP claimed
WO-2007106142-A2 PROCESS FOR USING OPTICAL AGENTS MALLINCKRODT INC. (US) 2007-09-20 WO claimed
WO-2006071759-A2 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION MALLINCKRODT INC. (US) 2006-07-06 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20240025864-A1 METHOD FOR PREPARING 3,6-DIAMINOPYRAZINE-2,5-DICARBOXYLIC ACID AND SYNTHETIC INTERMEDIATE THEREOF DPYD, GART, DHODH TDP1 1073/4885PDPK1 1559/4885ALDH1A1 731/4885
US-20160045619-A1 METHODS OF USING OPTICAL AGENTS REN, ATP6V1B1, VHL TDP1 3081/4885PDPK1 3819/4885ALDH1A1 2024/4885
US-11708336-B2 Anodic oxidation of 5-aminouracil DPYD, DHODH, AASDHPPT TDP1 1401/4885PDPK1 2395/4885ALDH1A1 297/4885

“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.