SCHEMBL6990885

SCHEMBL6990885

C[S+]([O-])c1ccnc(-n2cc(Br)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.33
PTGS1 P23219 2/20 0.33
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
MAPK13 O15264 2/20 0.31
GCGR P47871 2/20 0.31
MAPK12 P53778 2/20 0.31
MAPK11 Q15759 2/20 0.31
MAPK14 Q16539 2/20 0.31
PLK2 Q9NYY3 1/20 0.30
POLB P06746 1/20 0.30
ALOX5 P09917 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL6988161 0.81 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6982952 0.80 MAPK14 (0.39) PTGS2PTGS1GABRA2GABRB2MAPK13
SCHEMBL27581935 0.79
SCHEMBL8484619 0.63 PTGS1 (0.39) PTGS2PTGS1GABRA2GABRB2MAPK13
SCHEMBL27581621 0.62 LCK (0.53) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6987088 0.62 LCK (0.53) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7880443 0.62 PSEN1 (0.44) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL8488021 0.61 PTGS1 (0.45) PTGS2PTGS1GABRA2GABRB2MAPK13
SCHEMBL27158612 0.59 ADORA3 (0.40) GABRA2GABRB2MAPK13GCGRMAPK12
SCHEMBL2849352 0.58 MAPK14 (0.49) MAPK13GCGRMAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224180-B1 SUBSTITUTED AZOLES NOVARTIS AG (CH) 2003-07-02 EP disclosed
US-6579874-B2 P38 MAP kinase inhibitors; treating Tumor necrosis factor (TNF-alpha) and Interleukin-1 mediated diseases, such as rheumatoid arthritis; imidazole and oxazole derivatives NOVARTIS AG (CH) 2003-06-17 US disclosed
CN-1378544-A Substituted azoles compounds NOVARTIS AG (CH) 2002-11-06 CN disclosed
US-20020049220-A1 Substituted azoles NOVARTIS AG (CH) 2002-04-25 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 (1 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-20020049220-A1 Substituted azoles MAPK1, MAPK4, MAP3K1 PTGS2 1162/4885PTGS1 129/4885GABRA2 3127/4885

“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.