SCHEMBL2751685

SCHEMBL2751685

N#Cc1ccc(-c2cc[c]cc2)c(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.53
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
ESR2 Q92731 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CYP19A1 P11511 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MMP3 P08254 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CHKA P35790 1/20 0.32

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
SCHEMBL2753702 0.85 STS (0.39) STSIMPDH2IMPDH1ESR2CYP19A1
SCHEMBL5633361 0.82 STS (0.54) STSESR2CYP19A1PTGDR2MAOA
SCHEMBL25418472 0.81 STS (0.50) STSIMPDH2IMPDH1CYP11B1CYP11B2
SCHEMBL2751214 0.80 STS (0.43) STSESR2PRMT5WDR77CYP19A1
SCHEMBL9019577 0.79 KDM4E (0.44) STSESR2CYP19A1CHKA
SCHEMBL4667162 0.79 ESR2 (0.59) STSESR2CYP19A1KDM1AMAOA
SCHEMBL18406709 0.79 STS (0.55) STSKDM1AMAOACYP11B2
SCHEMBL2754405 0.79 STS (0.44) STSPRMT5WDR77CYP19A1PTGDR2
SCHEMBL28232459 0.76 VCAM1 (0.32) STSMMP3CYP11B1CYP11B2
SCHEMBL18411429 0.74 STS (0.47) STSESR2CYP19A1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541764-B Pyrimidylmethyl-sulfonamide compounds useful as fungicides and against arthropods BASF SE 2012-10-10 CN disclosed
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
CN-101541764-A Pyrimidylmethyl-sulfonamide compounds useful as fungicides and against arthropods BASF SE (DE) 2009-09-23 CN disclosed
CN-101541762-A Pyridazin-4-ylmethyl-sulfonamide compounds as fungicides and against arthropods BASF SE (DE) 2009-09-23 CN 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 STS 10/4885IMPDH2 113/4885IMPDH1 144/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 STS 6/4885IMPDH2 1488/4885IMPDH1 1870/4885

“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.