SCHEMBL2750890

SCHEMBL2750890

N#Cc1cccc(Oc2cccnn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.49
GRM5 P41594 3/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CYP19A1 P11511 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
SYK P43405 1/20 0.40
TBXAS1 P24557 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HAO1 Q9UJM8 1/20 0.39

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
SCHEMBL31527906 0.82 CYP19A1 (0.54) MAP4K4GRM5PDE4APDE4BPDE4C
SCHEMBL6579300 0.82 MAP4K4 (0.62) MAP4K4GRM5PDE4APDE4BPDE4C
SCHEMBL8379001 0.77 PDE4A (0.54) MAP4K4PDE4APDE4BPDE4CPDE4D
SCHEMBL6577317 0.76 MAP4K4 (0.56) MAP4K4GRM5PDE4APDE4BPDE4C
SCHEMBL2751024 0.76 ALDH1A1 (0.46) MAP4K4GRM5ALDH1A1SMN1; SMN2
SCHEMBL27857359 0.76 CYP1A2 (0.49) MAP4K4GRM5CYP19A1
SCHEMBL10626187 0.76 RET (0.40) ALDH1A1
SCHEMBL27839327 0.75 PDE4A (0.53) MAP4K4PDE4APDE4BPDE4CPDE4D
SCHEMBL6578539 0.74 GRM5 (0.52) MAP4K4GRM5CYP19A1SYKTBXAS1
SCHEMBL12562322 0.74 CYP19A1 (0.71) GRM5CYP19A1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 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 (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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 MAP4K4 1858/4885GRM5 1450/4885PDE4A 958/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 MAP4K4 644/4885GRM5 1581/4885PDE4A 1073/4885

“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.