SCHEMBL2957264

SCHEMBL2957264

C[C@H](O)CNc1nccc(-c2cn(C3CCOC3)nc2-c2cnc3[nH]ccc3c2)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.48
ACVR1 Q04771 6/20 0.44
JAK1 P23458 3/20 0.37
MKNK1 Q9BUB5 1/20 0.37
PIK3CA P42336 4/20 0.37
MTOR P42345 2/20 0.37
RICTOR Q6R327 1/20 0.37
MAPKAP1 Q9BPZ7 1/20 0.37
MLST8 Q9BVC4 1/20 0.37
JAK2 O60674 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
PIK3CD O00329 1/20 0.35
FAAH O00519 1/20 0.35
MAP3K14 Q99558 1/20 0.35
KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL13941212 0.87 ACVR1 (0.44) BRAFACVR1MKNK1PIK3CAMTOR
SCHEMBL13217501 0.87 BRAF (0.46) BRAFACVR1JAK1MKNK1
SCHEMBL2639907 0.87 BRAF (0.46) BRAFACVR1MKNK1
SCHEMBL2639880 0.85 ACVR1 (0.42) BRAFACVR1MKNK1PIK3CAMTOR
SCHEMBL2640207 0.84 BRAF (0.56) BRAFPIK3CAMTORPIK3CDKDM5B
SCHEMBL2966185 0.82 BRAF (0.67) BRAF
SCHEMBL2639978 0.82 BRAF (0.47) BRAFACVR1JAK1MKNK1MAP3K14
SCHEMBL2955874 0.82 ACVR1 (0.41) ACVR1JAK1PIK3CAMTORRICTOR
SCHEMBL2639706 0.81 BRAF (0.48) BRAFACVR1
SCHEMBL2962772 0.80 BRAF (0.42) BRAFACVR1MKNK1

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
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
EP-2183243-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS Pfizer Inc. (US) 2010-05-12 EP disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 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-20090221608-A1 PYRAZOLE COMPOUNDS BRAF, RAF1, NRAS BRAF 1/4885ACVR1 4191/4885JAK1 228/4885

“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.