SCHEMBL568140

SCHEMBL568140

CS(=O)(=O)c1ccc(CN)nc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 11/20 0.47
LOX P28300 2/20 0.47
MBOAT4 Q96T53 1/20 0.45
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
KCNH2 Q12809 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
LOXL3 P58215 2/20 0.38
ENPP2 Q13822 1/20 0.38
PSIP1 O75475 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAOA P21397 1/20 0.36
AOC3 Q16853 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
Hydrochloric Acid SCHEMBL560818 0.98 LOXL2 (0.49) LOXL2LOXMBOAT4PTGS1PTGS2
SCHEMBL17674354 0.86 PTGS2 (0.48) LOXL2LOXPTGS1PTGS2KCNH2
SCHEMBL21299559 0.85 LOXL2 (0.39) LOXL2LOXMBOAT4PTGS1PTGS2
SCHEMBL16441819 0.83 PSIP1 (0.53) LOXL2LOXKCNH2HTR2AHTR2C
SCHEMBL17168938 0.82 CA2 (0.50) KCNH2HTR2AHTR2CKDM4E
SCHEMBL12094201 0.82 PTGS2 (0.54) LOXL2LOXMBOAT4PTGS1PTGS2
Hydrochloric Acid SCHEMBL16213541 0.81 PSIP1 (0.52) LOXL2LOXKCNH2HTR2AHTR2C
Hydrochloric Acid SCHEMBL16968565 0.81 PSIP1 (0.52) LOXL2LOXKCNH2HTR2AHTR2C
Hydrochloric Acid SCHEMBL23145140 0.81 CA2 (0.52) KCNH2HTR2AHTR2CKDM4E
Hydrochloric Acid SCHEMBL29744315 0.81 CA2 (0.52) KCNH2HTR2AHTR2CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108610-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL ASTRAZENECA AB (SE) 2012-05-03 US claimed
US-20090209555-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL ASTRAZENECA AB (SE) 2009-08-20 US claimed
EP-2018377-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL. Astra Zeneca AB (SE) 2009-01-28 EP claimed
WO-2007129963-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL. ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20240173307-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2024-05-30 US disclosed
CN-112204006-B Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2023-11-28 CN disclosed
EP-3704089-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-19 EP disclosed
EP-3418280-B1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
US-11358967-B2 Substituted pyrazino[2,3-b]pyrazines and pyrazino[2,3-c]pyridazines as modulators of ROR gamma BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-14 US disclosed
WO-2022106547-A1 PROCESS FOR SYNTHESISING A ROR GAMMA INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-27 WO disclosed
EP-3452453-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-04-13 EP disclosed
EP-3177612-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2022-02-23 EP disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
US-20090209555-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL ASTRAZENECA AB (SE) 2009-08-20 US disclosed
EP-2018377-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL. Astra Zeneca AB (SE) 2009-01-28 EP disclosed
WO-2007129963-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL. ASTRAZENECA AB (SE) 2007-11-15 WO 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 (5 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 LOXL2 3029/4885LOX 3862/4885MBOAT4 4636/4885
US-20240173307-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 LOXL2 2584/4885LOX 2259/4885MBOAT4 2305/4885
US-20090209555-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL SERPINB1, ELANE, EPX LOXL2 1399/4885LOX 617/4885MBOAT4 4184/4885
US-20120108610-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL SERPINB1, ELANE, EPX LOXL2 1399/4885LOX 617/4885MBOAT4 4184/4885
US-11358967-B2 Substituted pyrazino[2,3-b]pyrazines and pyrazino[2,3-c]pyridazines as modulators of ROR gamma RORC, RORB, RORA LOXL2 3898/4885LOX 3761/4885MBOAT4 4551/4885

“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.