SCHEMBL5726693

SCHEMBL5726693

C[S+]([O-])c1nccc(-c2cn[nH]c2-c2ccc(F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.50
MAPK13 O15264 2/20 0.50
MAPK12 P53778 2/20 0.50
MAPK11 Q15759 2/20 0.50
MAPK8 P45983 7/20 0.46
MAPK10 P53779 7/20 0.46
MAPK9 P45984 6/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
TGFBR1 P36897 4/20 0.46
KCNH2 Q12809 1/20 0.41
PIK3CA P42336 1/20 0.38
DCLK1 O15075 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
EGFR P00533 1/20 0.38
PRKACA P17612 1/20 0.38
FLT3 P36888 1/20 0.38
FRK P42685 1/20 0.38
CSNK1A1 P48729 1/20 0.38

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
SCHEMBL5726072 0.87 TGFBR1 (0.48) MAPK14MAPK8MAPK10MAPK9TGFBR1
SCHEMBL14519501 0.80 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPK8
SCHEMBL14519513 0.79 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11MAPK8
SCHEMBL6070210 0.77 TGFBR1 (0.56) MAPK14TGFBR1PRKACAGSK3BRPS6KA3
SCHEMBL14519502 0.76 CDK4 (0.57) MAPK14MAPK13MAPK12MAPK11MAPK8
SCHEMBL14519474 0.73 TGFBR1 (0.70) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL14519519 0.73 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11MAPK8
SCHEMBL14519530 0.73 MAPK8 (0.53) MAPK14MAPK13MAPK12MAPK11MAPK8
SCHEMBL14519509 0.72 MAPK8 (0.79) MAPK14MAPK13MAPK12MAPK8MAPK10
SCHEMBL4602908 0.71 BRAF (0.56) MAPK14MAPK13MAPK12MAPK11TGFBR1

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-1455579-B1 PYRAZOLES-PYRIMIDINE FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-09-06 EP disclosed
US-20050080101-A1 Pyrazoles-pyrimidine fungicides SYNGENTA CROP PROTECTION, INC. 2005-04-14 US disclosed
EP-1455579-A1 PYRAZOLES-PYRIMIDINE FUNGICIDES Syngenta Participations AG (CH) 2004-09-15 EP disclosed
WO-2003049542-A1 PYRAZOLES-PYRIMIDINE FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-06-19 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 (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-20050080101-A1 Pyrazoles-pyrimidine fungicides DHFR, CYP3A7, CBR3 MAPK14 3517/4885MAPK13 3511/4885MAPK12 3729/4885

“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.