SCHEMBL2963770

SCHEMBL2963770

CSc1nccc(-c2cn[nH]c2N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CCNA2 P20248 3/20 0.44
CDK2 P24941 3/20 0.44
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
CCNA1 P78396 2/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
DYRK3 O43781 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ILK Q13418 1/20 0.38
MAPK14 Q16539 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
CSNK1E P49674 1/20 0.37
MAPK8 P45983 1/20 0.36

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
SCHEMBL2965363 0.82 LMNA (0.47) LMNACCNA2CDK2CDK5CDK5R1
SCHEMBL6132086 0.78 TGFBR1 (0.50) LMNACCNA2CDK2CDK5CDK5R1
SCHEMBL6070097 0.74 TGFBR1 (0.60) CDK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL18438753 0.74 CCNA2 (0.41) LMNACCNA2CDK2CDK5CDK5R1
SCHEMBL8237569 0.74 CCNA2 (0.51) LMNACCNA2CDK2CDK5CDK5R1
SCHEMBL9957523 0.74 LMNA (0.51) LMNACCNA2CDK2CDK5CDK5R1
SCHEMBL24251294 0.73 LMNA (0.47) LMNACCNA2CDK2CDK5CDK5R1
SCHEMBL6069697 0.73 LMNA (0.40) LMNACCNA2CDK2CDK5CDK5R1
SCHEMBL30931966 0.73 LMNA (0.47) LMNACCNA2CDK2CDK5CDK5R1
SCHEMBL8235924 0.72 MAPK8 (0.62) CCNA2CDK2CCNA1MAPK8MAPK9

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 11 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
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
WO-2007129195-A2 4-PYRIMIDINE-5-AMINO-PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-15 WO disclosed
WO-2007129195-A2 4-PYRIMIDINE-5-AMINO-PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-15 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 LMNA 4718/4885CCNA2 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.