SCHEMBL3448178

SCHEMBL3448178

CCC(=Cc1cccc(-c2cnc(Nc3cc(OC)cc(S(C)(=O)=O)c3)nc2S(C)(=O)=O)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 6/20 0.39
RIPK2 O43353 1/20 0.39
CDK9 P50750 3/20 0.36
KDR P35968 3/20 0.36
GSK3A P49840 3/20 0.36
GSK3B P49841 3/20 0.36
AURKA O14965 2/20 0.36
MAP4K4 O95819 2/20 0.36
ABL1 P00519 2/20 0.36
LCK P06239 2/20 0.36
MET P08581 2/20 0.36
FGFR1 P11362 2/20 0.36
FLT1 P17948 2/20 0.36
FLT3 P36888 2/20 0.36
MAPK8 P45983 2/20 0.36
MAPK9 P45984 2/20 0.36
CDK5 Q00535 2/20 0.36
NTRK2 Q16620 2/20 0.36
TAOK1 Q7L7X3 2/20 0.36
AURKB Q96GD4 2/20 0.36

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
SCHEMBL3451569 0.88 RIPK2 (0.43) PTK2RIPK2CDK9KDRGSK3A
SCHEMBL3452002 0.86 THRB (0.46) PTK2RIPK2CDK9KDRGSK3A
SCHEMBL3452005 0.86 THRB (0.46) PTK2RIPK2CDK9KDRGSK3A
SCHEMBL3452880 0.85 PTGS2 (0.38) PTK2CDK9JAK3GAKPTGS2
SCHEMBL3448175 0.84 KDM4E (0.42) PTK2RIPK2MAPK1
SCHEMBL3448177 0.83 PTK2 (0.40) PTK2RIPK2CDK9KDRGSK3A
SCHEMBL3449538 0.74 RIPK2 (0.45) PTK2RIPK2CDK9KDRGSK3A
SCHEMBL3449534 0.74 RIPK2 (0.45) PTK2RIPK2CDK9KDRGSK3A
SCHEMBL3451566 0.73 RIPK2 (0.41) PTK2RIPK2CDK9KDRGSK3A
SCHEMBL3449929 0.72 SYK (0.43) PTK2RIPK2ACVR1JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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 (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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD PTK2 3971/4885RIPK2 4693/4885CDK9 3611/4885

“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.