SCHEMBL12057779

SCHEMBL12057779

Nc1nc(Cl)c(-c2nc3c(Cl)cccc3s2)c(N[C@H]2CC[C@@H](CO)C2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 10/20 0.51
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ PTPN11 Q06124 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PSMB8 P28062 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ CXCR6 O00574 1/20 0.33

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
SCHEMBL13493538 0.87 IRAK4 (0.67) IRAK4
SCHEMBL12057971 0.82 IRAK4 (0.43) IRAK4KMT2ALMNAMAPTGAA
SCHEMBL12058086 0.81 IRAK4 (0.53) IRAK4KMT2ALMNAMAPTGAA
SCHEMBL12037679 0.81 IRAK4 (0.77) IRAK4
SCHEMBL10094255 0.80 IRAK4 (0.41) IRAK4KMT2APTPN11MEN1
SCHEMBL12058434 0.80 IRAK4 (0.49) IRAK4
SCHEMBL12058383 0.79 IRAK4 (0.46) IRAK4
SCHEMBL12058435 0.79 IRAK4 (0.50) IRAK4MAPTALDH1A1
SCHEMBL12057676 0.79 IRAK4 (0.50) IRAK4
SCHEMBL10094186 0.78 IRAK4 (0.43) IRAK4PTPN11

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 706/4885KMT2A 4091/4885LMNA 2623/4885

“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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