SCHEMBL13801799

SCHEMBL13801799

COc1ccc(C(=O)Nc2nc(-c3ccccc3O)cc(-c3cccc(C(=O)NCCN)c3)c2C#N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 19/20 1.00
IKBKB O14920 1/20 0.53

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
SCHEMBL13801787 0.95 KISS1R (0.91) KISS1RIKBKB
SCHEMBL13801726 0.92 KISS1R (0.84) KISS1RIKBKB
SCHEMBL13801765 0.90 KISS1R (0.81) KISS1RIKBKB
SCHEMBL13801807 0.89 KISS1R (0.82) KISS1R
SCHEMBL13801840 0.89 KISS1R (0.79) KISS1RIKBKB
SCHEMBL13801774 0.88 KISS1R (1.00) KISS1RIKBKB
SCHEMBL13801851 0.88 KISS1R (0.79) KISS1RIKBKB
Trifluoroacetic Acid SCHEMBL4203332 0.87 KISS1R (0.77) KISS1RIKBKB
SCHEMBL13801753 0.87 KISS1R (0.77) KISS1RIKBKB
SCHEMBL13801808 0.86 KISS1R (0.76) KISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF GNRHR, PGR, MC1R KISS1R 16/4885IKBKB 1068/4885

“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.