SCHEMBL1001548

SCHEMBL1001548

CC(N[S+]([O-])C(C)(C)C)(c1ccc(F)c(F)c1)c1ccc(CN2CCC(c3ccc(F)nc3)CC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
TYK2 P29597 3/20 0.37
JAK3 P52333 3/20 0.37
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
DRD2 P14416 4/20 0.36
DRD3 P35462 3/20 0.36
PRKAA2 P54646 8/20 0.35
PIK3CA P42336 7/20 0.35
ADRA1A P35348 2/20 0.34
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 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
SCHEMBL1001547 1.00 JAK2 (0.37) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL1004296 0.84 KCNH2 (0.40) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL1003360 0.83 DRD2 (0.40) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL1003361 0.83 DRD2 (0.40) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL1001980 0.75 HDAC3 (0.34) KCNH2MCHR1
SCHEMBL1001979 0.75 HDAC3 (0.34) KCNH2MCHR1
SCHEMBL1002154 0.75 MCHR1 (0.44) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL1002152 0.75 MCHR1 (0.44) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL1002752 0.73 MCHR1 (0.54) KCNH2MCHR1SIGMAR1
SCHEMBL1002750 0.73 MCHR1 (0.54) KCNH2MCHR1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM BANYU PHARMACEUTICAL CO., INC. 2011-01-20 US disclosed
EP-2272841-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING ANTAGONISTIC ACTIVITY ON MELANIN-CONCENTRATING HORMONE RECEPTOR Banyu Pharmaceutical Co., Ltd. (JP) 2011-01-12 EP 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-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM MC1R, MCHR2, MCHR1 JAK2 122/4885JAK1 478/4885TYK2 707/4885

“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.