SCHEMBL4997424

SCHEMBL4997424

COc1ccc(C(C)C)cc1-c1cncc(N2CCN(c3ccncc3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.50
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAP4K1 Q92918 2/20 0.39
ROCK2 O75116 1/20 0.38
SUV39H2 Q9H5I1 2/20 0.38
ACVR1 Q04771 4/20 0.37
TGFBR1 P36897 3/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LRRK2 Q5S007 1/20 0.36
BRAF P15056 1/20 0.35
CETP P11597 2/20 0.35
USP7 Q93009 1/20 0.35
MELK Q14680 1/20 0.34

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
SCHEMBL4995211 0.85 MEN1 (0.46) ALDH1A1MAP4K1SUV39H2KCNH2SMN1; SMN2
SCHEMBL5000676 0.79 CHEK1 (0.43) MAP4K1ROCK2MELK
SCHEMBL4997110 0.79 MAP4K1 (0.48) FYNALDH1A1NPSR1MAP4K1ACVR1
SCHEMBL5000621 0.77 MAP4K1 (0.43) ALDH1A1MAP4K1ACVR1TGFBR1KCNH2
SCHEMBL5000912 0.76 RBP4 (0.47) ALDH1A1NPSR1SUV39H2POLBLMNA
SCHEMBL4995032 0.75 MAPT (0.52) ALDH1A1NPSR1SMN1; SMN2LMNAL3MBTL1
SCHEMBL5000702 0.75 MAPT (0.45) ALDH1A1NPSR1SUV39H2POLBSMN1; SMN2
SCHEMBL14091319 0.75 MAPT (0.55) ALDH1A1KCNH2SMN1; SMN2
SCHEMBL5000709 0.72 ALDH1A1 (0.50) FYNALDH1A1SMN1; SMN2
SCHEMBL27316386 0.72 SMN1; SMN2 (0.51) FYNALDH1A1POLBSMN1; SMN2

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 1 patent. 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

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 FYN 20/4885ALDH1A1 1034/4885RECQL 2752/4885

“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.