SCHEMBL5003050

SCHEMBL5003050

Oc1ccc(-c2cncc(NCc3cccs3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ FYN P06241 6/20 0.49
▸ CYP1A2 P05177 8/20 0.46
▸ ALDH1A1 P00352 8/20 0.46
▸ CLK4 Q9HAZ1 7/20 0.46
▸ CYP3A4 P08684 7/20 0.46
▸ CYP2D6 P10635 7/20 0.46
▸ CYP2C19 P33261 5/20 0.46
▸ ALOX15 P16050 4/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ BRAF P15056 1/20 0.44
▸ LMNA P02545 5/20 0.42
▸ USP2 O75604 3/20 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
SCHEMBL23110602 0.82 PTGS2 (0.63) —
SCHEMBL27619002 0.75 CCNE1 (0.56) L3MBTL1FYNCYP1A2ALDH1A1CLK4
SCHEMBL23093434 0.75 ALDH1A1 (0.49) L3MBTL1FYNCYP1A2ALDH1A1CLK4
SCHEMBL1055715 0.71 FYN (0.81) FYNBRAF
SCHEMBL4147840 0.69 FYN (0.56) FYNCYP1A2ALDH1A1CLK4CYP3A4
SCHEMBL4926244 0.69 FYN (0.54) FYNBRAF
SCHEMBL2719343 0.69 ALDH1A1 (0.58) FYNCYP1A2ALDH1A1CLK4CYP3A4
SCHEMBL4992128 0.68 BRAF (0.60) FYNALDH1A1MEN1KMT2ABRAF
SCHEMBL15870491 0.67 CCNC (0.71) FYN
SCHEMBL23110876 0.66 PTGS2 (0.68) —

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 3 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
EP-1694670-A1 PYRAZINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES GPC Biotech AG (DE) 2006-08-30 — — EP claimed
WO-2005058876-A1 PYRAZINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES GPC BIOTECH AG (DE) 2005-06-30 — — WO 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 L3MBTL1 4837/4885FYN 20/4885CYP1A2 743/4885

“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.

Send feedback