SCHEMBL6046600

SCHEMBL6046600

O=C(NCc1cc(F)cc(F)c1)c1nc(N2CCCCS2(O)O)c2cccnc2c1O

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALCA P06881 9/20 0.84
EGLN1 Q9GZT9 2/20 0.42
DYRK1A Q13627 4/20 0.40
WNT1 P04628 2/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
COMT P21964 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
SCHEMBL4063925 0.92 CALCA (0.84) CALCA
SCHEMBL6046599 0.91 CALCA (1.00) CALCAEGLN1DYRK1AWNT1CLK2
SCHEMBL4060939 0.90 CALCA (0.79) CALCA
SCHEMBL7263617 0.88 CALCA (0.67) CALCA
SCHEMBL7262555 0.86 CALCA (0.65) CALCAEGLN1COMT
SCHEMBL4763683 0.86 CALCA (0.64) CALCACOMT
SCHEMBL4765294 0.86 CALCA (0.64) CALCA
SCHEMBL4767331 0.85 CALCA (0.63) CALCACOMT
SCHEMBL4766074 0.85 CALCA (0.63) CALCACOMT
SCHEMBL4765622 0.85 CALCA (0.63) CALCA

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-20060173046-A1 Hydroxypyridine cgrp receptor antagonists MERCK SHARP & DOHME CORP. 2006-08-03 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-20060173046-A1 Hydroxypyridine cgrp receptor antagonists HRH4, HRH1, HRH2 CALCA 37/4885EGLN1 463/4885DYRK1A 3850/4885

“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.