SCHEMBL12058174

SCHEMBL12058174

Nc1nc(Cl)c(-c2cc3cccnc3o2)c(N[C@H]2CC[C@@H](CO)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.37
▸ JAK2 O60674 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ SYK P43405 5/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ PTPN11 Q06124 1/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ ALB P02768 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL12057977 0.85 IRAK4 (0.33) IRAK4TYK2SYKNR1I2ALB
SCHEMBL12057752 0.82 MKNK1 (0.36) IRAK4SYKMKNK1
SCHEMBL12058133 0.82 NAMPT (0.38) IRAK4SYKMKNK1
SCHEMBL10094250 0.82 IRAK4 (0.38) IRAK4TYK2SYKPTPN11NR1I2
SCHEMBL12057672 0.81 PTGES (0.39) IRAK4SYKMKNK1NPC1RAB9A
SCHEMBL12037580 0.81 IRAK4 (0.58) IRAK4
SCHEMBL12057718 0.81 JAK2 (0.38) IRAK4JAK2TYK2SYK
SCHEMBL10094252 0.81 IRAK4 (0.43) IRAK4SYKNR1I2ALBPDE4D
SCHEMBL12058194 0.80 IRAK4 (0.37) IRAK4SYKMKNK1
SCHEMBL12058054 0.80 IRAK4 (0.37) IRAK4SYKMKNK1

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 706/4885JAK2 570/4885TYK2 489/4885

“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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