SCHEMBL2639939

SCHEMBL2639939

Cc1c[nH]c2ncc(-c3nn(C(C)(C)CO)cc3-c3ccnc(NCCC#N)n3)cc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.38
EIF2AK2 P19525 2/20 0.34
BTK Q06187 3/20 0.33
ITK Q08881 3/20 0.33
ACVR1 Q04771 1/20 0.33
CCNT1 O60563 4/20 0.33
CCNA2 P20248 4/20 0.33
CDK2 P24941 4/20 0.33
CDK9 P50750 4/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
RET P07949 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
MET P08581 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
SCHEMBL2639843 0.92 BRAF (0.41) BRAFEIF2AK2BTKITKACVR1
SCHEMBL2959510 0.92 BRAF (0.41) BRAFEIF2AK2ACVR1CCNT1CCNA2
SCHEMBL13940233 0.90 BRAF (0.38) BRAFEIF2AK2ACVR1CCNT1CCNA2
SCHEMBL2957753 0.88 BRAF (0.38) BRAFEIF2AK2ACVR1
SCHEMBL2640189 0.87 BRAF (0.40) BRAFEIF2AK2ACVR1
SCHEMBL2639622 0.86 BRAF (0.43) BRAFACVR1
SCHEMBL2640048 0.84 BRAF (0.47) BRAFBTKITKCCNT1CCNA2
SCHEMBL2639967 0.83 CCNT1 (0.48) CCNT1CCNA2CDK2CDK9
SCHEMBL2640193 0.82 BRAF (0.43) BRAFACVR1
SCHEMBL13940914 0.82 BRAF (0.38) BRAFEIF2AK2ACVR1CCNT1CCNA2

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 12 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

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 1/4885EIF2AK2 3105/4885BTK 66/4885

“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.