SCHEMBL2640216

SCHEMBL2640216

COc1cc(-c2nn(C(C)C)cc2-c2ccnc(NC3CC3)n2)cnc1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 4/20 0.71
▸ CDK4 P11802 11/20 0.46
▸ GSK3B P49841 5/20 0.46
▸ CDK2 P24941 7/20 0.42
▸ CDK1 P06493 5/20 0.42
▸ CCNA2 P20248 5/20 0.42
▸ CCNB1 P14635 4/20 0.42
▸ CCND1 P24385 4/20 0.42
▸ CCNA1 P78396 4/20 0.42
▸ CCNE1 P24864 2/20 0.41
▸ CCND3 P30281 2/20 0.41
▸ CDK6 Q00534 2/20 0.41
▸ MKNK1 Q9BUB5 2/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ CCNH P51946 1/20 0.39
▸ MNAT1 P51948 1/20 0.39

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
SCHEMBL2639990 0.83 BRAF (1.00) BRAFCDK4GSK3B
SCHEMBL2967283 0.77 BRAF (0.87) BRAFCDK4GSK3B
SCHEMBL2640247 0.75 BRAF (0.64) BRAFMAP3K12
SCHEMBL67602 0.74 MAPK14 (0.52) BRAFCDK4CDK2CDK1CCND1
SCHEMBL2639940 0.74 BRAF (0.83) BRAFCDK4GSK3BMAP3K12
SCHEMBL2639965 0.74 BRAF (0.53) BRAFGSK3BCDK2CCNA2CCNA1
SCHEMBL13939890 0.73 BRAF (0.63) BRAFCDK2CCNA2MKNK1CCNT1
SCHEMBL2639670 0.72 BRAF (0.56) BRAF
SCHEMBL2640075 0.72 BRAF (0.60) BRAFMKNK1MAP3K12
SCHEMBL2959597 0.72 BRAF (0.73) BRAFTTK

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 13 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
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
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 1/4885CDK4 146/4885GSK3B 168/4885

“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.

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