SCHEMBL1521779

SCHEMBL1521779

CNc1ncc([N+](=O)[O-])c(NC)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.53
LMNA P02545 2/20 0.51
GALR2 O43603 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
MCL1 Q07820 1/20 0.49
PTK2B Q14289 1/20 0.49
GSK3A P49840 3/20 0.44
AURKA O14965 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIN1 Q13526 1/20 0.41
STK17A Q9UEE5 1/20 0.40
PLK1 P53350 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
SCHEMBL25808295 0.82 LMNA (0.51) GSK3BLMNAGALR2POLBMAPT
SCHEMBL5408755 0.82 GSK3B (0.50) GSK3BLMNAGALR2POLBMAPT
SCHEMBL5402268 0.82 GSK3B (0.82) GSK3BLMNAMAPTMEN1CYP1A2
SCHEMBL12876603 0.81 L3MBTL1 (0.70) GSK3BMAPTMEN1CYP1A2CYP3A4
SCHEMBL5419368 0.81 GSK3B (0.63) GSK3BLMNAMAPTMEN1CYP1A2
SCHEMBL11746290 0.81 L3MBTL1 (0.62) GSK3BMAPTL3MBTL1STK17APRKCQ
SCHEMBL2950586 0.81 LMNA (0.42) GSK3BLMNAGALR2POLBMAPT
SCHEMBL4879733 0.81 PIN1 (0.46) GSK3BLMNAGALR2POLBMAPT
SCHEMBL16011456 0.81 L3MBTL1 (0.62) GSK3BLMNAGALR2POLBMAPT
SCHEMBL4867295 0.81 PIN1 (0.61) GSK3BLMNAGALR2POLBL3MBTL1

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-20230139684-A1 COMPOSITIONS AND METHODS FOR TREATING, PREVENTING OR REVERSING AGE-ASSOCIATED INFLAMMATION AND DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 US disclosed
US-20110118271-A1 Kinase Inhibitors Useful For The Treatment Of Proliferative Diseases FLYNN DANIEL L 2011-05-19 US disclosed
US-7897762-B2 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2011-03-01 US disclosed
EP-2063896-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
US-20090099190-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2009-04-16 US disclosed
US-7423038-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (A DELAWARE LIMITED LIABILITY CORPORATION) (BM) 2008-09-09 US disclosed
US-20080113986-A1 such as serine/threonine, fusion, and tyrosine kinase receptors as nerve and fibroblast growth factor; abnormal activation of immune and nervous systems; antiproliferative; N-[4-methyl-3-(8-methyl-2-methylamino-7-oxo-7,8-dihydropteridin-6-yl)-phenyl]-3-morpholin-4-yl-5-trifluoromethyl-benzamide IRM LLC (BM) 2008-05-15 US disclosed
WO-2008033999-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-03-20 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 (4 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-20110118271-A1 Kinase Inhibitors Useful For The Treatment Of Proliferative Diseases BRAF, PRKDC, RAF1 GSK3B 450/4885LMNA 3483/4885GALR2 3114/4885
US-20230139684-A1 COMPOSITIONS AND METHODS FOR TREATING, PREVENTING OR REVERSING AGE-ASSOCIATED INFLAMMATION AND DISORDERS SERPINB1, DNASE1, PON1 GSK3B 2755/4885LMNA 145/4885GALR2 2562/4885
US-20080113986-A1 such as serine/threonine, fusion, and tyrosine kinase receptors as nerve and fibroblast growth factor; abnormal activation of immune and nervous systems; antiproliferative; N-[4-methyl-3-(8-methyl-2-methylamino-7-oxo-7,8-dihydropteridin-6-yl)-phenyl]-3-morpholin-4-yl-5-trifluoromethyl-benzamide LCK, FRK, FYN GSK3B 164/4885LMNA 4767/4885GALR2 3088/4885
US-20090099190-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 GSK3B 450/4885LMNA 3483/4885GALR2 3114/4885

“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.