SCHEMBL2957868

SCHEMBL2957868

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

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.79
ACVR1 Q04771 4/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
SUV39H2 Q9H5I1 1/20 0.38
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38

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
SCHEMBL2967283 0.90 BRAF (0.87) BRAFSUV39H2
SCHEMBL2640159 0.89 BRAF (0.62) BRAFACVR1
SCHEMBL2639990 0.88 BRAF (1.00) BRAF
SCHEMBL2640057 0.86 BRAF (0.59) BRAFACVR1PIK3CDPIK3CAPIK3CG
SCHEMBL2640194 0.85 BRAF (0.57) BRAFACVR1
SCHEMBL2959597 0.83 BRAF (0.73) BRAFACVR1SUV39H2P2RX3P2RX2
SCHEMBL13200241 0.83 BRAF (0.73) BRAFACVR1SUV39H2P2RX3P2RX2
SCHEMBL2959593 0.83 BRAF (0.73) BRAFACVR1SUV39H2P2RX3P2RX2
SCHEMBL2640235 0.83 BRAF (0.73) BRAFACVR1SUV39H2P2RX3P2RX2
SCHEMBL2639940 0.83 BRAF (0.83) BRAF

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 1/4885ACVR1 4191/4885PIK3CD 171/4885

“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.