SCHEMBL335444

SCHEMBL335444

O=P(O)(O)Nc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.50
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MDM2 Q00987 1/20 0.48
CTSD P07339 1/20 0.46
JAK2 O60674 3/20 0.44
TYK2 P29597 3/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42
RAD52 P43351 1/20 0.41
NT5E P21589 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 2/20 0.40
JAK1 P23458 2/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
MPO P05164 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
SCHEMBL14241685 0.86 FDPS (0.50) FDPSKDM4EL3MBTL1MDM2CTSD
SCHEMBL14241687 0.80 KMT2A (0.52) FDPSKDM4EL3MBTL1MDM2CTSD
SCHEMBL17319265 0.77 FDPS (0.43) FDPSKDM4EL3MBTL1MDM2CTSD
SCHEMBL195068 0.75 CA9 (0.52) FDPSKDM4ECTSDALDH1A1HTT
SCHEMBL4743946 0.74 FDPS (0.61) FDPSKDM4EALDH1A1KMT2APOLB
SCHEMBL9328080 0.73 CA9 (0.50) FDPSKDM4EHTT
SCHEMBL915097 0.71 MMP2 (0.46) KDM4EL3MBTL1ALDH1A1KMT2APOLB
SCHEMBL2693735 0.71 MMP2 (0.55) KDM4EL3MBTL1GAAALDH1A1KMT2A
SCHEMBL14241212 0.71 FDPS (0.65) FDPSKDM4EL3MBTL1MDM2CTSD
SCHEMBL7790457 0.71 CA12 (0.64) FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039490-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2008-02-14 US claimed
EP-1567497-A4 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2006-11-15 EP claimed
EP-1567497-A2 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE Purdue Research Foundation (US) 2005-08-31 EP claimed
US-20040171587-A1 Pyridines for treating injured mammalian nerve tissue PURDUE RESEARCH FOUNDATION 2004-09-02 US claimed
WO-2004052291-A2 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2004-06-24 WO claimed
US-20170313920-A1 Biological Buffers with Wide Buffering Ranges DALY THOMAS P (US) 2017-11-02 US disclosed
US-20170260435-A1 Biological Buffers with Wide Buffering Ranges DALY THOMAS P (US) 2017-09-14 US disclosed
US-20160369142-A1 Biological Buffers with Wide Buffering Ranges DALY THOMAS P (US) 2016-12-22 US disclosed
US-9475754-B2 Biological buffers with wide buffering ranges TPAT IP LLC 2016-10-25 US disclosed
US-20160280634-A1 Biological Buffers with Wide Buffering Ranges TPAT IP LLC 2016-09-29 US disclosed
US-9447310-B2 Biological buffers with wide buffering ranges TPAT IP LLC 2016-09-20 US disclosed
US-20160194283-A1 Biological Buffers with Wide Buffering Ranges TPAT IP LLC 2016-07-07 US disclosed
US-20110130429-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2011-06-02 US disclosed
EP-1567497-B1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2009-09-23 EP disclosed
US-20080039490-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2008-02-14 US disclosed
US-7244748-B2 Pyridines for treating injured mammalian nerve tissue PURDUE RESEARCH FOUNDATION (US) 2007-07-17 US disclosed
EP-1567497-A4 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2006-11-15 EP disclosed
EP-1567497-A2 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE Purdue Research Foundation (US) 2005-08-31 EP disclosed
US-20040171587-A1 Pyridines for treating injured mammalian nerve tissue PURDUE RESEARCH FOUNDATION 2004-09-02 US disclosed
WO-2004052291-A2 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2004-06-24 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-20170260435-A1 Biological Buffers with Wide Buffering Ranges PEF1, SLC7A1, PLPBP FDPS 4531/4885KDM4E 2858/4885L3MBTL1 3471/4885
US-20160280634-A1 Biological Buffers with Wide Buffering Ranges PEF1, SLC7A1, PLPBP FDPS 4531/4885KDM4E 2858/4885L3MBTL1 3471/4885
US-20040171587-A1 Pyridines for treating injured mammalian nerve tissue P2RY4, INA, P2RY1 FDPS 1385/4885KDM4E 74/4885L3MBTL1 2182/4885
US-20160194283-A1 Biological Buffers with Wide Buffering Ranges PEF1, SLC7A1, PLPBP FDPS 4531/4885KDM4E 2858/4885L3MBTL1 3471/4885
US-20160369142-A1 Biological Buffers with Wide Buffering Ranges PEF1, SLC7A1, PLPBP FDPS 4531/4885KDM4E 2858/4885L3MBTL1 3471/4885
US-20080039490-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE P2RY4, INA, PMP22 FDPS 1371/4885KDM4E 74/4885L3MBTL1 2216/4885
US-20170313920-A1 Biological Buffers with Wide Buffering Ranges PEF1, SLC7A1, PLPBP FDPS 4531/4885KDM4E 2858/4885L3MBTL1 3471/4885
US-20110130429-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PMP22, SMN1; SMN2, MUSK FDPS 3170/4885KDM4E 107/4885L3MBTL1 1186/4885

“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.