SCHEMBL922709

SCHEMBL922709

Cn1nnc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 4/20 0.46
SLC9A1 P19634 1/20 0.46
KEAP1 Q14145 1/20 0.46
FGFR1 P11362 1/20 0.46
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MGAM O43451 1/20 0.43
AMY1A P0DUB6 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL210082 0.87 NSD2 (0.61) NSD2L3MBTL1MAPTSLC9A1KEAP1
SCHEMBL11458726 0.81 FGFR1 (0.47) NSD2L3MBTL1MAPTFGFR1TXNRD1
SCHEMBL19911557 0.81 FGFR1 (0.43) NSD2L3MBTL1MAPTFGFR1TXNRD1
SCHEMBL19911553 0.80 SLC9A1 (0.53) NSD2L3MBTL1MAPTSLC9A1ALDH1A1
SCHEMBL3279685 0.80 MAPT (0.52) NSD2MAPTFGFR1TXNRD1TXNRD3
SCHEMBL19911559 0.80 ALDH1A1 (0.46) NSD2L3MBTL1MAPTFGFR1TXNRD1
SCHEMBL19911555 0.80 HPGD (0.48) NSD2L3MBTL1MAPTFGFR1TXNRD1
SCHEMBL17950548 0.80 L3MBTL1 (0.61) NSD2L3MBTL1MAPTKMT2AMEN1
SCHEMBL19911572 0.80 HCAR3 (0.44) NSD2L3MBTL1MAPTFGFR1TXNRD1
SCHEMBL19911564 0.80 SLC9A1 (0.50) NSD2L3MBTL1MAPTSLC9A1FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
EP-2817310-B1 8-SUBSTITUTED 2-AMINO-[1,2,4]TRIAZOLO[1,5-A]PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
WO-2017155816-A1 QUINAZOLINE COMPOUNDS USEFUL AS M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2017-09-14 WO disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
US-9120804-B2 8-substituted 2-amino-[1,2,4] triazolo [1, 5-A] pyrazines as Syk tryrosine kinase inhibitors and GCN2 serin kinase inhibitors MERCK PATENT GMBH (DE) 2015-09-01 US disclosed
US-9120804-B2 8-substituted 2-amino-[1,2,4] triazolo [1, 5-A] pyrazines as Syk tryrosine kinase inhibitors and GCN2 serin kinase inhibitors MERCK PATENT GMBH (DE) 2015-09-01 US disclosed
US-9120804-B2 8-substituted 2-amino-[1,2,4] triazolo [1, 5-A] pyrazines as Syk tryrosine kinase inhibitors and GCN2 serin kinase inhibitors MERCK PATENT GMBH (DE) 2015-09-01 US disclosed
US-20150025058-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2015-01-22 US disclosed
US-20150025058-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2015-01-22 US disclosed
WO-2013001088-A1 DIRECT SYNTHESIS OF 18F-FLUOROMETHOXY COMPOUNDS FOR PET IMAGING AND THE PROVISION OF NEW PRECURSORS FOR DIRECT RADIOSYNTHESIS OF PROTECTED DERIVATIVES OF O-([18F]FLUOROMETHYL) TYROSINE PIRAMAL IMAGING SA (CH) 2013-01-03 WO disclosed
EP-2540710-A1 New precursors for direct radiosynthesis of protected derivatives of O-([18F]Fluoromethyl) tyrosine Bayer Schering Pharma Aktiengesellschaft (DE) 2013-01-02 EP disclosed
US-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Valocor Therapeutics, Inc. (CA) 2011-09-29 US disclosed
US-7875728-B2 tert-butyl-[5-methyl-4-(phenylhydrazono)-4H-pyrazol-3-yl]amine; 4-(3-fluorophenylhydrazono)-5-methyl-2H-pyrazol-3-ylamine; demonstrate anti-proliferative activity, and may promote apoptosis in cells lacking normal regulation of cell cycle and death Valocor Therapeutics, Inc. (CA) 2011-01-25 US disclosed
US-7105503-B2 Pyrazole compounds QLT INC. (CA) 2006-09-12 US disclosed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US disclosed
CN-1671379-A Hydrazinopyrazole derivatives and their use as therapeutic agents QUADRA LOGIC TECH INC (CA) 2005-09-21 CN disclosed
EP-1450791-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Kinetek Pharmaceuticals, Inc. (CA) 2004-09-01 EP disclosed
WO-2003045379-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS KINETEK PHARMACEUTICALS, INC. (CA) 2003-06-05 WO disclosed
US-20030060453-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2003-03-27 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 (6 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-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 NSD2 2422/4885L3MBTL1 1249/4885MAPT 4573/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC NSD2 3858/4885L3MBTL1 1450/4885MAPT 4000/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C NSD2 2557/4885L3MBTL1 1549/4885MAPT 4486/4885
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 NSD2 4458/4885L3MBTL1 3236/4885MAPT 3263/4885
US-20150025058-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS SYK, EIF2AK4, BTK NSD2 1014/4885L3MBTL1 1064/4885MAPT 4614/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 NSD2 598/4885L3MBTL1 2127/4885MAPT 1283/4885

“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.