SCHEMBL5726072

SCHEMBL5726072

C[S+]([O-])c1nccc(-c2cn[nH]c2-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.48
MAPK14 Q16539 2/20 0.48
RPS6KA3 P51812 3/20 0.48
AKT1 P31749 2/20 0.48
AURKA O14965 1/20 0.48
CDK1 P06493 1/20 0.48
LYN P07948 1/20 0.48
PIM1 P11309 1/20 0.48
FGFR1 P11362 1/20 0.48
PRKACA P17612 1/20 0.48
RPS6KB1 P23443 1/20 0.48
CDK2 P24941 1/20 0.48
MARK3 P27448 1/20 0.48
GSK3B P49841 1/20 0.48
PRKCZ Q05513 1/20 0.48
PRKCD Q05655 1/20 0.48
ERBB4 Q15303 1/20 0.48
CDC42BPA Q5VT25 1/20 0.48
MARK2 Q7KZI7 1/20 0.48
AKT3 Q9Y243 1/20 0.48

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
SCHEMBL6070210 0.90 TGFBR1 (0.56) TGFBR1MAPK14RPS6KA3AKT1AURKA
SCHEMBL5726693 0.87 MAPK14 (0.50) TGFBR1MAPK14RPS6KA3PRKACAGSK3B
SCHEMBL27997668 0.80 AURKA (0.50) RPS6KA3AURKAFGFR1PRKACAPRKCD
SCHEMBL6132086 0.78 TGFBR1 (0.50) TGFBR1MAPK14RPS6KA3AKT1AURKA
SCHEMBL6070023 0.72 TGFBR1 (0.32) TGFBR1MAPK14PRKCDMAPK10
SCHEMBL27618478 0.71 MAPK8 (0.52) AKT1AURKAPIM1MAPK8KCNH2
SCHEMBL6070097 0.69 TGFBR1 (0.60) TGFBR1MAPK14RPS6KA3AKT1AURKA
SCHEMBL5248907 0.69 RPS6KA3 (0.81) TGFBR1MAPK14RPS6KA3AKT1AURKA
Bromide SCHEMBL11756541 0.68 RPS6KA3 (0.79) TGFBR1MAPK14RPS6KA3AKT1AURKA
SCHEMBL18391615 0.67 MAPK8 (0.56) CDK2GSK3BMAPK8MAPK10MAPK9

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 TGFBR1 2150/4885MAPK14 3517/4885RPS6KA3 1219/4885

“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.