SCHEMBL2750108

SCHEMBL2750108

N#Cc1ccc(-c2c[c]ccn2)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.37
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
ELANE P08246 1/20 0.34
MAP3K14 Q99558 1/20 0.34
GRM5 P41594 5/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
EGLN2 Q96KS0 2/20 0.33
TGFBR1 P36897 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 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
SCHEMBL2751558 0.88 METAP2 (0.39) METAP2METAP1KDM4CCLK4ELANE
SCHEMBL13261822 0.81 METAP2 (0.50) METAP2METAP1GRM5TGFBR1KDM4E
SCHEMBL1201563 0.80 ESR2 (0.41) ALDH1A1TSHR
SCHEMBL2753002 0.76 STS (0.38) STSKDM4CCLK4CYP11B1CYP11B2
SCHEMBL2753264 0.75 STS (0.37) STSMETAP2METAP1EGLN2
SCHEMBL1201977 0.75 CYP11B2 (0.44) GRM5CYP11B1CYP11B2EGLN2TGFBR1
SCHEMBL2754405 0.74 STS (0.44) STSCLK4CYP19A1CYP11B1CYP11B2
SCHEMBL1202735 0.74 CLK4 (0.57) CLK4GRM5
SCHEMBL2750707 0.73 SMN1; SMN2 (0.34) CYP11B2KDM4EALDH1A1HTT
SCHEMBL25418472 0.73 STS (0.50) STSCYP11B1CYP11B2ALDH1A1TSHR

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 10/4885METAP2 543/4885METAP1 621/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 STS 6/4885METAP2 1121/4885METAP1 1485/4885

“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.