SCHEMBL2752011

SCHEMBL2752011

N#Cc1cccc(-c2c[c]ncc2)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
ESR2 Q92731 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
HTT P42858 1/20 0.32
PDE10A Q9Y233 1/20 0.32
GSK3B P49841 2/20 0.32
DYRK1A Q13627 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GSK3A P49840 1/20 0.31
CYP19A1 P11511 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31

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
SCHEMBL2751582 0.80 HTT (0.35) SMN1; SMN2HIF1AESR2HTTGSK3B
SCHEMBL20165895 0.78 GSK3A (0.45) SMN1; SMN2HIF1AESR2HTTPDE10A
SCHEMBL2752020 0.76 SMN1; SMN2 (0.39) SMN1; SMN2HIF1AESR2MEN1ALDH1A1
SCHEMBL820505 0.75 ESR2 (0.48) SMN1; SMN2HIF1AESR2MEN1ALDH1A1
SCHEMBL2753082 0.75 ESR2 (0.37) SMN1; SMN2HIF1AESR2NISCHHTT
SCHEMBL2753749 0.73 ESR2 (0.34) SMN1; SMN2HIF1AESR2
SCHEMBL11132592 0.73 ESR2 (0.43) SMN1; SMN2HIF1AESR2NISCHHTT
SCHEMBL2753256 0.73 ESR2 (0.43) SMN1; SMN2HIF1AESR2NISCHPDE10A
SCHEMBL769515 0.72 SMN1; SMN2 (0.51) SMN1; SMN2HIF1AESR2MEN1ALDH1A1
SCHEMBL30359283 0.72 SMN1; SMN2 (0.51) SMN1; SMN2HIF1AESR2MEN1ALDH1A1

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 7 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
EP-2066643-A1 PYRIDAZIN-4-YLMETHYL-SULFONAMIDES USED AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2009-06-10 EP disclosed
EP-2064190-A1 PYRIMIDYLMETHYL-SULFONAMIDE COMPOUNDS USEFUL AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2009-06-03 EP disclosed
WO-2008062011-A1 PYRIMIDYLMETHYL-SULFONAMIDE COMPOUNDS USEFUL AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2008-05-29 WO disclosed
WO-2008062012-A1 PYRIDAZIN-4-YLMETHYL-SULFONAMIDES USED AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2008-05-29 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 (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 SMN1; SMN2 768/4885HIF1A 4066/4885ESR2 4708/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 SMN1; SMN2 824/4885HIF1A 4716/4885ESR2 4385/4885

“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.