SCHEMBL2959593

SCHEMBL2959593

COc1cc(-c2nn([C@H]3C[C@H](F)C3)cc2-c2ccnc(NC[C@H](C)O)n2)cnc1N

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.73
SUV39H2 Q9H5I1 1/20 0.38
TTK P33981 1/20 0.37
ACVR1 Q04771 1/20 0.37
P2RX3 P56373 2/20 0.35
P2RX2 Q9UBL9 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
ROS1 P08922 1/20 0.34

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
SCHEMBL2959597 1.00 BRAF (0.73) BRAFSUV39H2TTKACVR1P2RX3
SCHEMBL2640235 1.00 BRAF (0.73) BRAFSUV39H2TTKACVR1P2RX3
SCHEMBL13200241 1.00 BRAF (0.73) BRAFSUV39H2TTKACVR1P2RX3
SCHEMBL2640247 0.85 BRAF (0.64) BRAFACVR1JAK2JAK1TYK2
SCHEMBL2967283 0.85 BRAF (0.87) BRAFSUV39H2
SCHEMBL2639990 0.85 BRAF (1.00) BRAF
SCHEMBL2957868 0.83 BRAF (0.79) BRAFSUV39H2ACVR1P2RX3P2RX2
SCHEMBL2640075 0.82 BRAF (0.60) BRAFACVR1JAK2JAK1TYK2
SCHEMBL13200253 0.81 BRAF (0.47) BRAFSUV39H2ACVR1
SCHEMBL2958297 0.81 BRAF (0.47) BRAFSUV39H2ACVR1

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-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US 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
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 1/4885SUV39H2 2195/4885TTK 1225/4885

“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.