SCHEMBL3448177

SCHEMBL3448177

CC/C(=C\C(=O)O)c1cccc(-c2cnc(Nc3cc(OC)cc(S(C)(=O)=O)c3)nc2S(C)(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 6/20 0.40
RIPK2 O43353 1/20 0.38
EGFR P00533 3/20 0.37
BTK Q06187 3/20 0.37
CDK9 P50750 3/20 0.36
CDK2 P24941 3/20 0.36
CCNT1 O60563 1/20 0.36
CCNE1 P24864 1/20 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
KDR P35968 2/20 0.36
FLT3 P36888 2/20 0.36
MAPK8 P45983 2/20 0.36
MAPK9 P45984 2/20 0.36
GSK3A P49840 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
SCHEMBL3451567 0.89 EGFR (0.44) PTK2RIPK2EGFRBTKCDK9
SCHEMBL3452879 0.85 PTK2 (0.38) PTK2CDK9CDK2CCNT1CCNE1
SCHEMBL3448178 0.83 PTK2 (0.39) PTK2RIPK2EGFRBTKCDK9
SCHEMBL3452002 0.82 THRB (0.46) PTK2RIPK2CDK9AURKAMAP4K4
SCHEMBL3452005 0.82 THRB (0.46) PTK2RIPK2CDK9AURKAMAP4K4
SCHEMBL3448175 0.79 KDM4E (0.42) PTK2RIPK2HDAC3HDAC1HDAC2
SCHEMBL3449925 0.73 SYK (0.42) PTK2RIPK2EGFRBTKCDK2
SCHEMBL3451325 0.72 SYK (0.42) PTK2RIPK2EGFRBTKACVR1
SCHEMBL3451569 0.71 RIPK2 (0.43) PTK2RIPK2EGFRBTKCDK9
SCHEMBL3449534 0.70 RIPK2 (0.45) PTK2RIPK2CDK9AURKAMAP4K4

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 4693/4885EGFR 2771/4885

“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.