SCHEMBL6046599

SCHEMBL6046599

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CALCA P06881 12/20 1.00
DYRK1A Q13627 4/20 0.43
EGLN1 Q9GZT9 1/20 0.42
WNT1 P04628 2/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 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
SCHEMBL29393055 0.92 CALCA (1.00) CALCA
SCHEMBL1198641 0.92 CALCA (1.00) CALCA
SCHEMBL6046600 0.91 CALCA (0.84) CALCADYRK1AEGLN1WNT1CLK2
SCHEMBL4060940 0.90 CALCA (0.95) CALCA
SCHEMBL7263607 0.88 CALCA (0.79) CALCA
SCHEMBL13996394 0.86 CALCA (0.77) CALCAEGLN1
SCHEMBL7262560 0.86 CALCA (0.77) CALCA
SCHEMBL4765288 0.86 CALCA (0.76) CALCA
SCHEMBL4763498 0.86 CALCA (0.76) CALCA
SCHEMBL968119 0.84 CALCA (0.78) 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 37/4885DYRK1A 3850/4885EGLN1 463/4885

“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.