SCHEMBL5111606

SCHEMBL5111606

Fc1ccc(OSOc2ccc(F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.39
SOS1 Q07889 1/20 0.37
HSPB1 P04792 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
ACHE P22303 1/20 0.36
MAOB P27338 5/20 0.35
APP P05067 1/20 0.35
GAA P10253 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAOA P21397 1/20 0.33
IDO1 P14902 1/20 0.33
AGXT P21549 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL19479106 0.78 APP (0.38) NFE2L2SOS1HSPB1CA1CA2
SCHEMBL10409176 0.74 NPC1 (0.41) NFE2L2SOS1ACHEMAOBGAA
SCHEMBL6289867 0.71 SOS1 (0.58) NFE2L2SOS1HSPB1GAAKDM4E
SCHEMBL351854 0.71 SOS1 (0.58) NFE2L2SOS1HSPB1GAAKDM4E
SCHEMBL6290683 0.71 SOS1 (0.58) NFE2L2SOS1HSPB1GAAKDM4E
SCHEMBL8521078 0.71 NFE2L2 (0.37) NFE2L2GAAKDM4EMEN1KMT2A
SCHEMBL7752252 0.71 ALDH1A1 (0.55) MAOBAPPGAANPC1RAB9A
SCHEMBL361420 0.69 LTA4H (0.50) CA1CA2CA9MAOBMAOA
SCHEMBL7367702 0.69 SOS1 (0.56) NFE2L2SOS1HSPB1GAAKDM4E
SCHEMBL13673376 0.69

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449581-B2 6-Substituted pyrido-pyrimidines POCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
CN-100376571-C 6-substituted pyrido-pyrimidines HOFFMANN LA ROCHE (CH) 2008-03-26 CN disclosed
US-20070135458-A1 6-Substituted pyrido-pyrimidines CHEN JIAN J 2007-06-14 US disclosed
US-7169794-B2 6-substituted pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2007-01-30 US disclosed
EP-1361880-B1 6-SUBSTITUTED PYRIDO-PYRIMIDINES HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
US-20040116698-A1 6-Substituted pyrido-pyrimidines CHEN JIAN JEFFREY (US) 2004-06-17 US disclosed
CN-1503672-A 6-substituted pyridopyrimidines - 2004-06-09 CN disclosed
US-6696566-B2 SELECTIVE P38 KINASE INHIBITORS RELATIVE TO CYCLIN-DEPENDENT KINASES AND TYROSINE KINASES SYNTEX (U.S.A.) LLC 2004-02-24 US disclosed
EP-1361880-A2 6-SUBSTITUTED PYRIDO-PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-19 EP disclosed
US-20030171584-A1 Treating p38 mediated disorders such as arthritis, Crohns disease, irritable bowel syndrome adult respiratory distress syndrome or chronic obstructive pulmonary disease. SYNTEX (U.S.A.) LLC 2003-09-11 US disclosed
WO-2002064594-A2 6-SUBSTITUTED PYRIDO-PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-22 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 (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-20070135458-A1 6-Substituted pyrido-pyrimidines P2RX6, P2RX1, P2RX7 NFE2L2 2889/4885SOS1 1851/4885HSPB1 4533/4885
US-20030171584-A1 Treating p38 mediated disorders such as arthritis, Crohns disease, irritable bowel syndrome adult respiratory distress syndrome or chronic obstructive pulmonary disease. ARRB1, MAPK1, MAPK8 NFE2L2 1548/4885SOS1 1607/4885HSPB1 790/4885

“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.