SCHEMBL12058435

SCHEMBL12058435

CNc1ccc2nc(-c3c(Cl)nc(N)nc3N[C@H]3CC[C@@H](CO)C3)sc2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 10/20 0.50
▸ APP P05067 7/20 0.38
▸ ILK Q13418 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SULT1A1 P50225 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SNCA P37840 1/20 0.34

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
SCHEMBL12057676 0.93 IRAK4 (0.50) IRAK4APP
SCHEMBL12058086 0.89 IRAK4 (0.53) IRAK4APPILKMAPTKDM4E
SCHEMBL12057759 0.87 IRAK4 (0.49) IRAK4APPILK
SCHEMBL12057677 0.86 IRAK4 (0.48) IRAK4MAPTKDM4ENPC1ALDH1A1
SCHEMBL13493538 0.86 IRAK4 (0.67) IRAK4ILK
SCHEMBL12057768 0.85 IRAK4 (0.56) IRAK4APPILK
SCHEMBL12037702 0.82 IRAK4 (0.75) IRAK4
SCHEMBL12058434 0.82 IRAK4 (0.49) IRAK4
SCHEMBL12058196 0.81 IRAK4 (0.49) IRAK4
SCHEMBL12057786 0.79 IRAK4 (0.56) 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 706/4885APP 973/4885ILK 4638/4885

“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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