SCHEMBL2962772

SCHEMBL2962772

C[C@H](O)CNc1nccc(-c2cn(C3CCOC3)nc2-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.42
ACVR1 Q04771 7/20 0.41
BRD4 O60885 2/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
MKNK1 Q9BUB5 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
SCHEMBL2966602 0.86 ACVR1 (0.38) ACVR1BRD4
SCHEMBL2965356 0.84 ACVR1 (0.38) ACVR1BRD4
SCHEMBL2963637 0.81 BRAF (0.45) BRAFACVR1
SCHEMBL2963641 0.81 BRAF (0.45) BRAFACVR1
SCHEMBL2957264 0.80 BRAF (0.48) BRAFACVR1MKNK1
SCHEMBL13217501 0.77 BRAF (0.46) BRAFACVR1MKNK1
SCHEMBL2639907 0.77 BRAF (0.46) BRAFACVR1MKNK1
SCHEMBL2639978 0.72 BRAF (0.47) BRAFACVR1CCNA2CDK2MAPK3
SCHEMBL2968816 0.72 BRAF (0.37) BRAFBRD4
SCHEMBL13939853 0.71 BRAF (0.37) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4191/4885BRD4 569/4885

“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.