SCHEMBL13138570

SCHEMBL13138570

CC(C)(C)OC(=O)Nc1ccc(I)c(C(O)c2c[nH]c3ncccc23)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.39
GRM8 O00222 1/20 0.38
GRM4 Q14833 1/20 0.38
MAP2K1 Q02750 1/20 0.36
METAP1 P53582 1/20 0.36
CAMKK2 Q96RR4 2/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DYRK1A Q13627 4/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CDC7 O00311 3/20 0.33
CDK8 P49336 3/20 0.33
CLK4 Q9HAZ1 3/20 0.33
STK17A Q9UEE5 3/20 0.33
DYRK1B Q9Y463 3/20 0.33
ROCK2 O75116 2/20 0.33
LRRK2 Q5S007 2/20 0.33
TDP2 O95551 1/20 0.33

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
SCHEMBL858505 0.89 GRM8 (0.38) BRAFGRM8GRM4MAP2K1METAP1
SCHEMBL414796 0.81 BRAF (0.44) BRAFGRM8GRM4MAP2K1CAMKK2
SCHEMBL8240993 0.78 BRAF (0.47) BRAFGRM8GRM4MAP2K1CAMKK2
SCHEMBL413743 0.76 BRAF (0.44) BRAFDYRK1ACLK4STK17AROCK2
SCHEMBL9983982 0.75 BRAF (0.41) BRAFGRM8GRM4MAP2K1CAMKK2
SCHEMBL414305 0.74 GRM8 (0.40) BRAFGRM8GRM4ROCK2MET
SCHEMBL22988869 0.74 MAP2K1 (0.40) GRM8GRM4MAP2K1METAP1CAMKK2
SCHEMBL28007326 0.72 MAP2K1 (0.47) GRM8GRM4MAP2K1CAMKK2MAPT
SCHEMBL27913236 0.68 RXFP1 (0.46) METAP1SMN1; SMN2CYP17A1
SCHEMBL859005 0.68 CAMKK2 (0.57) MAP2K1CAMKK2DYRK1ACDC7CDK8

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-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 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-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 BRAF 48/4885GRM8 3207/4885GRM4 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.