SCHEMBL2969314

SCHEMBL2969314

CC(C)(CO)n1cc(-c2ccnc(NCCC#N)n2)c(I)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.41
EIF2AK2 P19525 3/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
STAT3 P40763 1/20 0.33
JAK3 P52333 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MAPK9 P45984 1/20 0.31
MAPK10 P53779 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
SCHEMBL13940206 0.87 CXCR4 (0.38) EIF2AK2JAK2PIK3C3MKNK1MAPK9
SCHEMBL8228196 0.79 BRAF (0.57) BRAFMAPK9
SCHEMBL2639622 0.79 BRAF (0.43) BRAFJAK2JAK1TYK2STAT3
SCHEMBL2640189 0.78 BRAF (0.40) BRAFEIF2AK2PIK3C3
SCHEMBL2640080 0.78 BRAF (0.40) BRAFMKNK1
SCHEMBL2639939 0.77 BRAF (0.38) BRAFEIF2AK2
SCHEMBL2957753 0.77 BRAF (0.38) BRAFEIF2AK2MAPK9
SCHEMBL2639692 0.77 BRAF (0.38) BRAFPIK3C3
SCHEMBL13940248 0.76 BRAF (0.34) BRAFJAK2JAK1TYK2STAT3
SCHEMBL2639843 0.76 BRAF (0.41) BRAFEIF2AK2

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 8 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

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 1/4885EIF2AK2 3105/4885JAK2 214/4885

“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.