SCHEMBL2640159

SCHEMBL2640159

Cc1cc(-c2nn(CC(F)F)cc2-c2ccnc(NC[C@H](C)O)n2)cnc1N

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.62
ACVR1 Q04771 5/20 0.43
DYRK1B Q9Y463 1/20 0.37
MAP3K14 Q99558 2/20 0.37
MET P08581 1/20 0.36
ROS1 P08922 1/20 0.36
ALK Q9UM73 1/20 0.36
MAPK10 P53779 3/20 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
SCHEMBL2957868 0.89 BRAF (0.79) BRAFACVR1
SCHEMBL2965402 0.88 BRAF (0.79) BRAF
SCHEMBL2961902 0.86 BRAF (0.46) BRAFACVR1MAP3K14
SCHEMBL2639594 0.85 BRAF (0.51) BRAFACVR1DYRK1BMAP3K14
SCHEMBL2960546 0.84 BRAF (0.53) BRAFACVR1DYRK1BMAP3K14MET
SCHEMBL2639982 0.82 BRAF (0.51) BRAFACVR1DYRK1BMAP3K14
SCHEMBL2639953 0.82 BRAF (0.51) BRAFACVR1DYRK1BMAP3K14
SCHEMBL2640194 0.82 BRAF (0.57) BRAFACVR1
SCHEMBL2639890 0.82 BRAF (0.51) BRAFACVR1MAP3K14
SCHEMBL2639900 0.81 BRAF (0.50) BRAFACVR1MAP3K14MAPK10

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
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
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 BRAF 1/4885ACVR1 4191/4885DYRK1B 1422/4885

“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.