SCHEMBL2955874

SCHEMBL2955874

CSc1nccc(-c2cn(C3CCOC3)nc2-c2cnc3[nH]ccc3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 5/20 0.41
MTOR P42345 5/20 0.40
MLST8 Q9BVC4 3/20 0.40
RICTOR Q6R327 2/20 0.40
MAPKAP1 Q9BPZ7 2/20 0.40
FAAH O00519 1/20 0.40
PIK3CA P42336 5/20 0.39
NUDT1 P36639 1/20 0.37
JAK2 O60674 3/20 0.37
JAK3 P52333 2/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
PIK3CD O00329 2/20 0.37
DAPK3 O43293 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL2956126 0.84 PIK3CA (0.39) ACVR1MTORMLST8FAAHPIK3CA
SCHEMBL13941212 0.82 ACVR1 (0.44) ACVR1MTORMLST8RICTORMAPKAP1
SCHEMBL2957264 0.82 BRAF (0.48) ACVR1MTORMLST8RICTORMAPKAP1
SCHEMBL2639880 0.80 ACVR1 (0.42) ACVR1MTORMLST8RICTORMAPKAP1
SCHEMBL2965356 0.78 ACVR1 (0.38) ACVR1JAK2JAK3JAK1TYK2
SCHEMBL2640038 0.71 BRAF (0.46) ACVR1MTORFAAHPIK3CAPIK3CD
SCHEMBL2639907 0.69 BRAF (0.46) ACVR1MAP3K12
SCHEMBL13217501 0.69 BRAF (0.46) ACVR1JAK1MAP3K12
SCHEMBL2966602 0.68 ACVR1 (0.38) ACVR1JAK2JAK3JAK1TYK2
SCHEMBL20354363 0.67 ACVR1 (0.56) ACVR1

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 9 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
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
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
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 ACVR1 4191/4885MTOR 104/4885MLST8 1101/4885

“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.