SCHEMBL2639804

SCHEMBL2639804

C[C@H](O)CNc1nccc(-c2cn(C(C)(C)C#N)nc2-c2cnc3[nH]cc(Cl)c3c2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.48
MAPK10 P53779 5/20 0.39
CCNT1 O60563 2/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CDK9 P50750 2/20 0.35
BTK Q06187 2/20 0.34
ITK Q08881 2/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
RAF1 P04049 2/20 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
SCHEMBL2639841 0.89 EIF2AK2 (0.40) BRAFCCNT1CCNA2CDK2CDK9
SCHEMBL2639645 0.87 BRAF (0.53) BRAFMAPK10CCNT1CCNA2CDK2
SCHEMBL2640008 0.86 BRAF (0.63) BRAF
SCHEMBL2639350 0.85 CCNT1 (0.49) CCNT1CCNA2CDK2CDK9
SCHEMBL2639448 0.84 BRAF (0.51) BRAF
SCHEMBL2639900 0.83 BRAF (0.50) BRAFMAPK10CCNT1CCNA2CDK2
SCHEMBL2639931 0.83 BRAF (0.51) BRAFMAPK10CCNT1CCNA2CDK2
SCHEMBL2639843 0.81 BRAF (0.41) BRAFCCNT1CCNA2CDK2CDK9
SCHEMBL2956057 0.81 BRAF (0.51) BRAFMAPK10
SCHEMBL2639706 0.81 BRAF (0.48) BRAFCCNT1CCNA2CDK2CDK9

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
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
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 1/4885MAPK10 368/4885CCNT1 1171/4885

“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.