SCHEMBL1490997

SCHEMBL1490997

CCN(c1ccc(F)c(C(=O)OC)c1F)S(=O)(=O)NC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
POLB P06746 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
ATM Q13315 1/20 0.33
LMNA P02545 3/20 0.33
BRAF P15056 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 3/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
ERN1 O75460 1/20 0.32
MAPK1 P28482 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL1490950 0.87 LMNA (0.39) POLBLMNABRAFTSHRALDH1A1
SCHEMBL27838905 0.79 ESR1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL913476 0.75 BRAF (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21596115 0.75 KMT2A (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1493318 0.74 LMNA (0.38) LMNABRAFALDH1A1SMN1; SMN2MAPK1
SCHEMBL1437450 0.74 KMT2A (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL914368 0.73 BMP1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1490998 0.73 BRAF (0.54) BRAF
SCHEMBL21600692 0.72 CA12 (0.38) LMNATSHRALDH1A1SMN1; SMN2ERN1
SCHEMBL913285 0.72 CYP2C9 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A

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 13 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
EP-2470539-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC (US) 2012-06-21 US disclosed
CN-102482283-A Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC 2012-05-30 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
WO-2011025951-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO 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 (3 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-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF PSEN1 2468/4885PSEN2 2763/4885APH1B 3885/4885
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF PSEN1 2322/4885PSEN2 2773/4885APH1B 3565/4885
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF PSEN1 2213/4885PSEN2 2660/4885APH1B 3678/4885

“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.