SCHEMBL2640185

SCHEMBL2640185

COCCNc1nccc(-c2cn(C(C)C)nc2-c2cnc3[nH]ccc3c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.54
MAPK9 P45984 2/20 0.40
CSNK1A1 P48729 2/20 0.40
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
MAP3K20 Q9NYL2 2/20 0.40
PGRMC1 O00264 1/20 0.40
RIPK2 O43353 1/20 0.40
NR1I2 O75469 1/20 0.40
CDK4 P11802 1/20 0.40
CHRM3 P20309 1/20 0.40
CCKBR P32239 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
PCYT1A P49585 1/20 0.40
IRAK1 P51617 1/20 0.40
LIMK1 P53667 1/20 0.40
LIMK2 P53671 1/20 0.40

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
SCHEMBL13217429 0.90 BRAF (0.52) BRAFMAPK14KDR
SCHEMBL2640224 0.89 BRAF (0.51) BRAFMAPK9CSNK1A1GSK3AGSK3B
SCHEMBL2640261 0.89 BRAF (0.53) BRAFMAPK9CSNK1A1GSK3AGSK3B
SCHEMBL2639673 0.87 BRAF (0.54) BRAFMAPK9CSNK1A1GSK3AGSK3B
SCHEMBL2639917 0.86 BRAF (0.49) BRAFMAPK9CSNK1A1GSK3AGSK3B
SCHEMBL2966185 0.86 BRAF (0.67) BRAFMAPK9CSNK1A1GSK3AGSK3B
SCHEMBL2639891 0.84 BRAF (0.47) BRAFMAPK9CSNK1A1GSK3AGSK3B
SCHEMBL2640009 0.83 BRAF (0.49) BRAFMAPK14KDR
SCHEMBL13200398 0.82 BRAF (0.49) BRAFMAPK14KDR
SCHEMBL2639735 0.82 BRAF (0.49) BRAFMAPK14KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4792126-B2 2011-10-12 JP claimed
CN-101815712-A Pyrazole compound and as the purposes of RAF inhibitor PFIZER 2010-08-25 CN 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
CN-101815712-A Pyrazole compound and as the purposes of RAF inhibitor PFIZER 2010-08-25 CN 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
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 1/4885MAPK9 82/4885CSNK1A1 945/4885

“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.