SCHEMBL10105727

SCHEMBL10105727

[C-]#[N+]c1ccc(Cc2ncnc(OC(C)C)c2C)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.32
DHODH Q02127 1/20 0.31

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
SCHEMBL10105725 0.86
SCHEMBL10105714 0.84 TRPA1 (0.38) DHODH
SCHEMBL10105742 0.83 AAK1 (0.35) AAK1DHODH
SCHEMBL10105734 0.82 AAK1 (0.32) AAK1
SCHEMBL10105711 0.79 DHODH (0.45) DHODH
SCHEMBL12271439 0.79 TRPA1 (0.39)
SCHEMBL10105721 0.79 GPR119 (0.41)
SCHEMBL10105723 0.75 GPR119 (0.38) DHODH
SCHEMBL10105778 0.75 GPR119 (0.41)
SCHEMBL10105720 0.74

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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R AAK1 2233/4885DHODH 1203/4885

“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.