SCHEMBL6685489

SCHEMBL6685489

[CH2]Cn1cnc2c(/N=C/N(C)C)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.52
▸ CA4 P22748 4/20 0.52
▸ CA9 Q16790 4/20 0.52
▸ CA1 P00915 3/20 0.52
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ADORA2A P29274 4/20 0.39
▸ ADORA1 P30542 2/20 0.37
▸ PI4KA P42356 2/20 0.37
▸ PI4K2B Q8TCG2 2/20 0.37
▸ PI4K2A Q9BTU6 2/20 0.37
▸ PI4KB Q9UBF8 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ADORA2B P29275 1/20 0.35
▸ AHCY P23526 3/20 0.35

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
SCHEMBL6685492 1.00 CA2 (0.52) CA2CA4CA9CA1CYP1A2
SCHEMBL14963615 0.80 CA2 (0.49) CA2CA4CA9CA1CYP1A2
SCHEMBL11014376 0.77 PDE4A (0.58) CA2CA4CA9CA1ADORA2A
SCHEMBL11014379 0.77 PDE4A (0.58) CA2CA4CA9CA1ADORA2A
SCHEMBL12831790 0.75 FGFR1 (0.47) CA2CA4CA9CA1CYP1A2
SCHEMBL12149937 0.75 FGFR1 (0.47) CA2CA4CA9CA1CYP1A2
SCHEMBL11024269 0.74 LMNA (0.52) CA2CA4CA9CA1MAPK1
SCHEMBL11024278 0.74 LMNA (0.52) CA2CA4CA9CA1MAPK1
SCHEMBL22510705 0.73 CA2 (0.44) CA2CA4CA9CA1CYP2D6
SCHEMBL24704214 0.73 CYP3A4 (0.51) CA2CA4CA9CA1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220120-A1 Novel anhydrolide derivatives having antibacterial activity VO NHA HUU (US) 2004-11-04 — — US claimed
WO-2004069854-A1 NOVEL ANHYDROLIDE DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY ENANTA PHARMACEUTICALS. INC. (US) 2004-08-19 — — WO claimed
US-6720308-B1 Anhydrolide derivatives having antibacterial activity ENANTA PHARMACEUTICALS, INC. 2004-04-13 — — US claimed
US-20040220120-A1 Novel anhydrolide derivatives having antibacterial activity VO NHA HUU (US) 2004-11-04 — — US disclosed
WO-2004069854-A1 NOVEL ANHYDROLIDE DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY ENANTA PHARMACEUTICALS. INC. (US) 2004-08-19 — — WO disclosed
US-6720308-B1 Anhydrolide derivatives having antibacterial activity ENANTA PHARMACEUTICALS, INC. 2004-04-13 — — US 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-20040220120-A1 Novel anhydrolide derivatives having antibacterial activity GALE, GNE, GMDS CA2 3360/4885CA4 1742/4885CA9 1186/4885

“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.

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