SCHEMBL2639639

SCHEMBL2639639

Nc1nccc(-c2cn(C3CCNCC3)nc2-c2cnc3[nH]cc(Cl)c3c2)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 11/20 0.49
CCNA2 P20248 11/20 0.49
CDK2 P24941 11/20 0.49
CDK9 P50750 11/20 0.49
PAK1 Q13153 6/20 0.47
PAK4 O96013 3/20 0.47
PDPK1 O15530 2/20 0.47
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
MET P08581 1/20 0.42
ALK Q9UM73 1/20 0.42

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
SCHEMBL2639349 0.86 PAK1 (0.49) PAK1PAK4METALK
SCHEMBL2639311 0.84 PAK1 (0.43) PAK1PAK4PDPK1PIK3CDPIK3CA
SCHEMBL2639320 0.80 CCNT1 (0.54) CCNT1CCNA2CDK2CDK9
SCHEMBL2640115 0.80 CCNT1 (0.54) CCNT1CCNA2CDK2CDK9PDPK1
SCHEMBL2640035 0.79 CCNT1 (0.53) CCNT1CCNA2CDK2CDK9
SCHEMBL2639792 0.77 CCNT1 (0.51) CCNT1CCNA2CDK2CDK9
SCHEMBL2639358 0.77 CCNT1 (0.50) CCNT1CCNA2CDK2CDK9PDPK1
SCHEMBL2639866 0.76 BRAF (0.47) CCNA2CDK2PAK1
SCHEMBL2639978 0.76 BRAF (0.47) CCNA2CDK2
SCHEMBL2640001 0.76 CCNT1 (0.49) CCNT1CCNA2CDK2CDK9

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 CCNT1 1171/4885CCNA2 1821/4885CDK2 182/4885

“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.