SCHEMBL2751007

SCHEMBL2751007

Fc1cccc(-c2c[c]ccn2)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
BCAT1 P54687 1/20 0.36
CLK2 P49760 2/20 0.34
CDK5 Q00535 2/20 0.34
DYRK1A Q13627 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
MAPK1 P28482 1/20 0.34
FLT4 P35916 1/20 0.34
MAPK8 P45983 1/20 0.34
LIMK1 P53667 1/20 0.34
CSNK2A1 P68400 1/20 0.34
TAOK1 Q7L7X3 1/20 0.34
SLK Q9H2G2 1/20 0.34
FAAH O00519 1/20 0.33
CNR2 P34972 1/20 0.33
WDR5 P61964 1/20 0.32
HSD11B1 P28845 1/20 0.32
NPC1 O15118 2/20 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
SCHEMBL2752979 0.79 GABRA1 (0.33) MAPK1NPC1
SCHEMBL970044 0.76 KDM4E (0.50) MAPK1NPC1
SCHEMBL30888806 0.76 KDM4E (0.50) MAPK1NPC1
SCHEMBL2753058 0.75 BCAT1 (0.36) CDK2CCNE2CCNE1BCAT1FAAH
SCHEMBL30022590 0.74 KDM4E (0.48) MAPK1NPC1
SCHEMBL29986122 0.74 KDM4E (0.48) MAPK1NPC1
SCHEMBL2752586 0.74 TGFBR1 (0.43) FAAH
SCHEMBL2753034 0.74 KMO (0.44) FAAHNPC1KMO
SCHEMBL26645835 0.73 HSD11B1 (0.37) CDK5DYRK1AMAPK1HSD11B1NPC1
SCHEMBL8043794 0.73 MKNK1 (0.39) NPC1PDE10A

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 3 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

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 CDK2 1449/4885CCNE2 3195/4885CCNE1 3009/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 CDK2 2824/4885CCNE2 4270/4885CCNE1 4197/4885

“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.