SCHEMBL5138798

SCHEMBL5138798

CCCS(=O)(=O)Nc1ccc(F)c(COc2c[nH]c3ncc(Br)cc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.49
KIT P10721 2/20 0.42
BMPR1B O00238 1/20 0.42
PLK4 O00444 1/20 0.42
PIR O00625 1/20 0.42
AURKA O14965 1/20 0.42
DCLK1 O15075 1/20 0.42
EPHB6 O15197 1/20 0.42
RIPK2 O43353 1/20 0.42
STK16 O75716 1/20 0.42
OXSR1 O95747 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
RAF1 P04049 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
FES P07332 1/20 0.42
CSF1R P07333 1/20 0.42
YES1 P07947 1/20 0.42
LYN P07948 1/20 0.42

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
SCHEMBL298289 0.79 BRAF (0.62) BRAFKITBMPR1BPLK4PIR
SCHEMBL856994 0.78 BRAF (0.48) BRAFKITBMPR1BPLK4PIR
SCHEMBL299131 0.73 BRAF (0.60) BRAFKITBMPR1BPLK4PIR
SCHEMBL412044 0.70 BRAF (0.49) BRAFKITAURKAKDRAURKB
SCHEMBL298639 0.70 BRAF (0.54) BRAFKITBMPR1BPLK4PIR
SCHEMBL29796757 0.70 BRAF (0.82) BRAFKITBMPR1BPLK4PIR
SCHEMBL294160 0.70 BRAF (0.82) BRAFKITBMPR1BPLK4PIR
SCHEMBL299535 0.70 BRAF (0.51) BRAFKITBMPR1BPLK4PIR
SCHEMBL299145 0.69 BRAF (0.55) BRAFKITBMPR1BPLK4PIR
SCHEMBL20408820 0.69 BRAF (0.74) BRAFKITBMPR1BPLK4PIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2395004-B1 Pyrrolo [2,3-b]pyridine derivatives as protein kinase inhibitors PLEXXIKON INC (US) 2016-01-20 EP disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
EP-2395004-A2 PYRROLO [2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2011-12-14 EP disclosed
EP-1893612-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2008-03-05 EP disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 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 (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-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 BRAF 48/4885KIT 1117/4885BMPR1B 4192/4885

“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.