SCHEMBL1592969

SCHEMBL1592969

CCCNS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.46
BRAF P15056 11/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAP2K4 P45985 3/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
METAP2 P50579 3/20 0.39
BMPR1B O00238 1/20 0.38
PLK4 O00444 1/20 0.38
PIR O00625 1/20 0.38
AURKA O14965 1/20 0.38
DCLK1 O15075 1/20 0.38
EPHB6 O15197 1/20 0.38
RIPK2 O43353 1/20 0.38
STK16 O75716 1/20 0.38
OXSR1 O95747 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL1593404 0.87 BRAF (0.44) FABP4BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL1437566 0.81 FABP4 (0.51) FABP4BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL3529771 0.81 FABP4 (0.53) FABP4BRAFMAP2K4METAP2
SCHEMBL413368 0.81 CYP3A4 (0.62) BRAFCYP3A4CYP2C9CYP2C19MAP2K4
SCHEMBL912842 0.78 BRAF (0.56) FABP4BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL29796692 0.78 BRAF (0.56) FABP4BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL20399239 0.77 BRAF (0.53) BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL1490948 0.77 BRAF (0.55) FABP4BRAFCYP2C9MAP2K4METAP2
SCHEMBL20408716 0.76 BRAF (0.52) BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL1437490 0.76 FABP4 (0.46) FABP4BRAFCYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394795-B2 Pyrazole [3, 4-B] pyridine Raf inhibitors ARRAY BIOPHARMA INC. (US) 2013-03-12 US disclosed
US-8338452-B2 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-25 US disclosed
EP-2265610-B1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-12-12 EP disclosed
CN-102149712-A Pyrazolo [3,4-b ] pyridine Raf inhibitors ARRAY BIOPHARMA INC 2011-08-10 CN disclosed
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Bio Pharma Inc. (US) 2011-05-12 US disclosed
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-04-21 US disclosed
CN-102015707-A RAF inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC 2011-04-13 CN disclosed
EP-2265608-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
EP-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 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 (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-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF FABP4 3047/4885BRAF 1/4885CYP3A4 1041/4885
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF FABP4 3316/4885BRAF 1/4885CYP3A4 2427/4885

“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.