SCHEMBL404232

SCHEMBL404232

COC(=O)C(CO)N=C=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MME P08473 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL27461791 0.84 MIF (0.45) MIFSMN1; SMN2CA1CA2
SCHEMBL1172986 0.83 MIF (0.42) MIFSMN1; SMN2CA12CA14TSHR
SCHEMBL10201901 0.83 MIF (0.42) MIFSMN1; SMN2CA12CA14TSHR
SCHEMBL23423085 0.82 ZDHHC7 (0.39) MIFSMN1; SMN2CA12CA14CA1
SCHEMBL21707116 0.82 CA1 (0.37) MIFSMN1; SMN2CA12CA14CA1
SCHEMBL725123 0.80 SMN1; SMN2 (0.31) MIFSMN1; SMN2
SCHEMBL29648813 0.80 MME (0.36) MIFSMN1; SMN2CA12CA14MME
SCHEMBL29035998 0.80 MME (0.36) MIFSMN1; SMN2CA12CA14MME
SCHEMBL4328211 0.80 MME (0.36) MIFSMN1; SMN2CA12CA14MME
SCHEMBL4328217 0.80 MME (0.36) MIFSMN1; SMN2CA12CA14MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190134052-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR NOVARTIS AG (CH) 2019-05-09 US disclosed
US-9452994-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2016-09-27 US disclosed
US-20160251334-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES FLUBACHER DIETMAR (DE) 2016-09-01 US disclosed
EP-3040333-A1 CRYSTALLINE FORMS OF 5-(2,6-DI-4-MORPHOLINYL-4-PYRIDMIDINYL)-4-TRIFLUOROMETHYLPYRIDIN-2-AMINE, A PIK3 INHIBITOR Novartis AG (CH) 2016-07-06 EP disclosed
US-9359326-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2016-06-07 US disclosed
US-9181215-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2015-11-10 US disclosed
US-20150232446-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2015-08-20 US disclosed
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
US-20150141426-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR NOVARTIS PHARMACEUTICALS CORPORATION 2015-05-21 US disclosed
EP-2637665-B1 DEXAMETHASONE COMBINATION THERAPY UNIV TEXAS (US) 2015-04-08 EP disclosed
EP-1575940-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER CHIRON CORPORATION (US) 2005-09-21 EP disclosed
EP-1537099-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2005-06-08 EP disclosed
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-03-31 US disclosed
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 US disclosed
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2004-09-09 US disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 WO disclosed
WO-2004060308-A2 THIOSEMICARBAZONES AS ANTI-VIRALS AND IMMUNOPOTENTIATORS CHIRON CORPORATION (US) 2004-07-22 WO disclosed
WO-2004048365-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER CHIRON CORPORATION (US) 2004-06-10 WO disclosed
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2004-04-22 US disclosed
WO-2004018455-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-03-04 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 (8 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-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 MIF 266/4885SMN1; SMN2 3575/4885CA12 4561/4885
US-20150141426-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR PIK3CA, PIK3CD, PIK3R5 MIF 1029/4885SMN1; SMN2 3256/4885CA12 2644/4885
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use PI4KB, PI4KA, PDPK1 MIF 813/4885SMN1; SMN2 2112/4885CA12 4302/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MIF 134/4885SMN1; SMN2 4815/4885CA12 3288/4885
US-20150232446-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES UMPS, HPRT1, NUDT1 MIF 4774/4885SMN1; SMN2 558/4885CA12 3739/4885
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MIF 1756/4885SMN1; SMN2 4203/4885CA12 3451/4885
US-20190134052-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR PIK3CA, PIK3CD, PIK3R5 MIF 1029/4885SMN1; SMN2 3256/4885CA12 2644/4885
US-20160251334-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES UMPS, HPRT1, NUDT1 MIF 4774/4885SMN1; SMN2 558/4885CA12 3739/4885

“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.