SCHEMBL2639716

SCHEMBL2639716

Cn1ccc2ncc(-c3nn(C(C)(C)CO)cc3-c3ccnc(NCCC#N)n3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.39
SYK P43405 1/20 0.34
ACVR1 Q04771 2/20 0.32
JAK2 O60674 2/20 0.32
TYK2 P29597 2/20 0.32
JAK1 P23458 1/20 0.32
STAT3 P40763 1/20 0.32
JAK3 P52333 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
PRKD3 O94806 4/20 0.30
MAP4K4 O95819 4/20 0.30
MAPK8 P45983 4/20 0.30
MAPK9 P45984 4/20 0.30
CSNK1D P48730 4/20 0.30
TAOK1 Q7L7X3 4/20 0.30
MINK1 Q8N4C8 4/20 0.30
PRKD2 Q9BZL6 4/20 0.30
CSNK1A1 P48729 3/20 0.30
CSNK1G2 P78368 3/20 0.30
CSNK1G3 Q9Y6M4 3/20 0.30

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
SCHEMBL2639622 0.83 BRAF (0.43) BRAFSYKACVR1JAK2TYK2
SCHEMBL2640189 0.83 BRAF (0.40) BRAFACVR1EGFR
SCHEMBL13200107 0.82 BRAF (0.44) BRAFACVR1JAK2TYK2JAK1
SCHEMBL2640080 0.81 BRAF (0.40) BRAFACVR1MKNK1
SCHEMBL2957753 0.81 BRAF (0.38) BRAFACVR1PRKD3MAP4K4MAPK8
SCHEMBL2639939 0.81 BRAF (0.38) BRAFACVR1
SCHEMBL2639692 0.81 BRAF (0.38) BRAFACVR1
SCHEMBL2639843 0.80 BRAF (0.41) BRAFACVR1
SCHEMBL2959510 0.80 BRAF (0.41) BRAFACVR1PRKD3MAP4K4MAPK8
SCHEMBL2969314 0.79 BRAF (0.41) BRAFJAK2TYK2JAK1STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4792126-B2 2011-10-12 JP claimed
EP-2183243-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS Pfizer Inc. (US) 2010-05-12 EP claimed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US claimed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 WO claimed
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 1/4885SYK 936/4885ACVR1 4191/4885

“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.