SCHEMBL2020349

SCHEMBL2020349

Nc1nnc(Cl)c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.71
GOT1 P17174 1/20 0.55
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GFER P55789 1/20 0.46
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 5/20 0.42
HPGD P15428 2/20 0.42
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
F12 P00748 1/20 0.40
PLAU P00749 1/20 0.40
NCF1 P14598 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL31416835 0.84 KDM4E (1.00) KDM4EKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL345211 0.84 GOT1 (0.62) KDM4EGOT1MEN1KMT2AGFER
SCHEMBL221530 0.84 KDM4E (1.00) KDM4EKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL29365992 0.84 GOT1 (0.62) KDM4EGOT1MEN1KMT2AGFER
SCHEMBL24575366 0.74 IMPDH2 (0.43) KDM4EGOT1LMNAPOLBHTT
SCHEMBL30771962 0.74 IMPDH2 (0.43) KDM4EGOT1MAPTRAB9ALMNA
SCHEMBL24575364 0.74 IMPDH2 (0.43) KDM4EGOT1MAPTRAB9ALMNA
Bicarbonate SCHEMBL11022555 0.73 GOT1 (0.52) KDM4EGOT1MEN1KMT2AGFER
SCHEMBL2306302 0.71 MEN1 (0.50) KDM4EGOT1MEN1KMT2AGFER
SCHEMBL2126344 0.71 GOT1 (0.50) KDM4EGOT1MEN1KMT2AGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4496727-A ORGANIC PIGMENTS; PLASTICS; LACQUERS; INKS; COATINGS; COLOR FASTNESS CIBA-GEIGY CORPORATION (US) 1985-01-29 US claimed
US-4385174-A FOR PIGMENTS CIBA-GEIGY CORPORATION (US) 1983-05-24 US claimed
WO-2025036275-A1 NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF 药捷安康(南京)科技股份有限公司 2025-02-20 WO disclosed
CN-119462517-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2025-02-18 CN disclosed
US-20240294542-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2024-09-05 US disclosed
CN-112707908-B Organic electronic material and application thereof 北京鼎材科技有限公司 2024-03-15 CN disclosed
CN-117624171-A Organic electronic material and application thereof 北京鼎材科技有限公司 2024-03-01 CN disclosed
WO-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed
WO-2023275366-A1 NLRP3 INFLAMMASOME INHIBITORS ASTRAZENECA AB (SE) 2023-01-05 WO disclosed
WO-2023278438-A1 NLRP3 MODULATORS ZOMAGEN BIOSCIENCES LTD (US) 2023-01-05 WO disclosed
WO-2022253326-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF 药捷安康(南京)科技股份有限公司 2022-12-08 WO disclosed
EP-1745039-A4 3-ARYL-5,6-DISUBSTITUTED PYRIDAZINES NEUROGEN CORP (US) 2009-07-22 EP disclosed
WO-2008110611-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2008-09-18 WO disclosed
US-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain MERCK & CO., INC. 2007-09-13 US disclosed
CN-1984904-A 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORP (US) 2007-06-20 CN disclosed
EP-1745039-A2 3-ARYL-5,6-DISUBSTITUTED PYRIDAZINES Neurogen Corporation (US) 2007-01-24 EP disclosed
CN-1871008-A Triazolo-pyridazine compounds and derivatives thereof useful in the treatment of neuropathic pain MERCK & CO INC (US) 2006-11-29 CN disclosed
WO-2006004589-A2 3-ARYL-5,6-DISUBSTITUTED PYRIDAZINES NEUROGEN CORPORATION (US) 2006-01-12 WO disclosed
US-4496727-A ORGANIC PIGMENTS; PLASTICS; LACQUERS; INKS; COATINGS; COLOR FASTNESS CIBA-GEIGY CORPORATION (US) 1985-01-29 US disclosed
US-4385174-A FOR PIGMENTS CIBA-GEIGY CORPORATION (US) 1983-05-24 US 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 (2 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-20240294542-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF NLRP3, NLRP1, PYCARD KDM4E 3867/4885GOT1 534/4885MEN1 4031/4885
US-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain PER2, CNR2, OPRD1 KDM4E 1349/4885GOT1 3789/4885MEN1 4543/4885

“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.