SCHEMBL12150673

SCHEMBL12150673

Cc1nc(Cl)c(/C=C/c2ccccc2Cl)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 20/20 0.43

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
SCHEMBL12150716 0.92 IRAK4 (0.43) IRAK4
SCHEMBL12150685 0.90 IRAK4 (0.42) IRAK4
SCHEMBL12150530 0.89 IRAK4 (0.55) IRAK4
SCHEMBL12150694 0.88 IRAK4 (0.40) IRAK4
SCHEMBL12150709 0.85 IRAK4 (0.42) IRAK4
SCHEMBL12150706 0.83 IRAK4 (0.46) IRAK4
SCHEMBL12150553 0.83 IRAK4 (0.54) IRAK4
SCHEMBL12150717 0.83 IRAK4 (0.41) IRAK4
SCHEMBL12150672 0.83 IRAK4 (0.41) IRAK4
SCHEMBL12150679 0.81 IRAK4 (0.39) IRAK4

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-20110286965-A1 ETHENYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-11-24 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-20110286965-A1 ETHENYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS CYP2C9, PNP, UGT1A3 IRAK4 1294/4885

“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.