SCHEMBL12057841

SCHEMBL12057841

Cc1nc(NCC(F)(F)F)nc(N[C@H]2CC[C@@H](CO)C2)c1-c1nc2cc(N(C)C)ccc2s1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 19/20 0.44
▸ DYRK1A Q13627 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
SCHEMBL12057699 0.87 DYRK1A (0.50) IRAK4DYRK1A
SCHEMBL12058464 0.87 IRAK4 (0.58) IRAK4
SCHEMBL12058448 0.85 IRAK4 (0.46) IRAK4DYRK1A
SCHEMBL12038077 0.84 IRAK4 (0.60) IRAK4
SCHEMBL12058251 0.84 IRAK4 (0.40) IRAK4
SCHEMBL12058223 0.81 IRAK4 (0.49) IRAK4
SCHEMBL12058008 0.81 IRAK4 (0.57) IRAK4
SCHEMBL12058209 0.81 IRAK4 (0.57) IRAK4
SCHEMBL12058327 0.80 IRAK4 (0.53) IRAK4
SCHEMBL12058263 0.79 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-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-12-29 — — 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-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS PNP, XDH, PNPO IRAK4 706/4885DYRK1A 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.

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