SCHEMBL2639742

SCHEMBL2639742

COc1cc(-c2nn(C(C)(C)C)cc2-c2ccnc(NCC(F)F)n2)cnc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.66
ACVR1 Q04771 2/20 0.39
DYRK1B Q9Y463 1/20 0.38
PIK3CA P42336 2/20 0.35
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CG P48736 1/20 0.34
PGRMC1 O00264 1/20 0.33
RIPK2 O43353 1/20 0.33
NR1I2 O75469 1/20 0.33
CDK4 P11802 1/20 0.33
CHRM3 P20309 1/20 0.33
CCKBR P32239 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
CSNK1A1 P48729 1/20 0.33
MAPKAPK2 P49137 1/20 0.33

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
SCHEMBL2640247 0.85 BRAF (0.64) BRAFACVR1DYRK1BPDE4DMAP3K11
SCHEMBL2640075 0.82 BRAF (0.60) BRAFACVR1
SCHEMBL2957868 0.82 BRAF (0.79) BRAFACVR1PIK3CAPIK3CDPIK3CG
SCHEMBL2639761 0.81 BRAF (0.59) BRAFACVR1DYRK1BDYRK1ACLK4
SCHEMBL2967283 0.81 BRAF (0.87) BRAFPGRMC1RIPK2NR1I2CDK4
SCHEMBL2639990 0.79 BRAF (1.00) BRAFPGRMC1RIPK2NR1I2CDK4
SCHEMBL2640047 0.77 BRAF (0.46) BRAFACVR1PIK3CAPIK3CDPIK3CG
SCHEMBL2640057 0.77 BRAF (0.59) BRAFACVR1PIK3CAPIK3CDPIK3CG
SCHEMBL13939890 0.76 BRAF (0.63) BRAFACVR1PIK3CADYRK1ACLK4
SCHEMBL2640235 0.75 BRAF (0.73) BRAFACVR1

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 12 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

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.