SCHEMBL10093932

SCHEMBL10093932

Cc1ccncc1C#Cc1c(Cl)nc(N)nc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.50

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
SCHEMBL13492745 0.86 IRAK4 (0.36) IRAK4
SCHEMBL10093943 0.83 IRAK4 (0.51) IRAK4
SCHEMBL10093962 0.83 IRAK4 (0.51) IRAK4
SCHEMBL10093937 0.83 IRAK4 (0.53) IRAK4
SCHEMBL10094042 0.82 IRAK4 (0.57) IRAK4
SCHEMBL10093942 0.82 IRAK4 (0.56) IRAK4
SCHEMBL10093944 0.82 IRAK4 (0.49) IRAK4
SCHEMBL10093953 0.81 IRAK4 (0.48) IRAK4
SCHEMBL10093969 0.81 IRAK4 (0.50) IRAK4
SCHEMBL10093933 0.81 IRAK4 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541434-B2 Ethynyl-substituted pyridine and pyrimidine derivatives and their use in treating viral infections MERCK SHARP & DOHME CORP. (US) 2013-09-24 — — US disclosed
US-8541434-B2 Ethynyl-substituted pyridine and pyrimidine derivatives and their use in treating viral infections MERCK SHARP & DOHME CORP. (US) 2013-09-24 — — US disclosed
US-20120107271-A1 ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2012-05-03 — — 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-20120107271-A1 ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS CYP2C9, P2RX3, F12 IRAK4 951/4885

“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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