SCHEMBL5002899

SCHEMBL5002899

COc1ccc(C(C)C)cc1-c1cncc(Nc2cccc(C#N)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.57
FYN P06241 1/20 0.52
AGPAT2 O15120 1/20 0.45
SLK Q9H2G2 5/20 0.43
STK10 O94804 4/20 0.43
ABCG2 Q9UNQ0 4/20 0.43
EGFR P00533 3/20 0.43
ERBB2 P04626 2/20 0.43
CLK2 P49760 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL4997476 0.77 BRAF (0.64) BRAFFYNABCG2
SCHEMBL1122131 0.73 BRAF (1.00) BRAF
SCHEMBL5000792 0.73 BRAF (0.55) BRAFFYNABCG2
SCHEMBL4014599 0.72 CDK2 (0.60) BRAFABCG2EGFRERBB2
SCHEMBL14005487 0.71 SYK (0.43) ABCG2EGFRERBB2
SCHEMBL4992499 0.70 BRAF (0.60) BRAFFYNABCG2
SCHEMBL4997522 0.70 BRAF (0.60) BRAFABCG2
SCHEMBL18613337 0.69 FYN (1.00) BRAFFYN
SCHEMBL4994977 0.68 BRAF (0.74) BRAF
SCHEMBL3529729 0.67 BRAF (0.71) BRAF

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US claimed
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US disclosed
EP-1694670-A1 PYRAZINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES GPC Biotech AG (DE) 2006-08-30 EP disclosed
WO-2005058876-A1 PYRAZINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES GPC BIOTECH AG (DE) 2005-06-30 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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C BRAF 478/4885FYN 20/4885AGPAT2 4330/4885

“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.