SCHEMBL12058058

SCHEMBL12058058

Cc1cncc2oc(-c3c(Cl)nc(N)nc3N[C@H]3CC[C@@H](CO)C3)cc12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 3/20 0.33
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ PIK3CD O00329 2/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ PIK3C3 Q8NEB9 1/20 0.32
▸ CCNT1 O60563 1/20 0.31
▸ SYK P43405 4/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ MCHR1 Q99705 1/20 0.30
▸ PIK3CB P42338 1/20 0.30

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
SCHEMBL12058201 0.90 IRAK4 (0.33) PTGESIRAK4CCNT1
SCHEMBL12058113 0.86 IRAK4 (0.37) IRAK4
SCHEMBL12058133 0.85 NAMPT (0.38) PTGESIRAK4SYK
SCHEMBL12058062 0.84 JAK1 (0.34) PTGESIRAK4PIK3CDPIK3CGPIK3C3
SCHEMBL12057752 0.83 MKNK1 (0.36) PTGESIRAK4CCNT1SYK
SCHEMBL12037808 0.82 IRAK4 (0.52) IRAK4
SCHEMBL12057967 0.82 PTGES (0.39) PTGESIRAK4SYK
SCHEMBL12057672 0.81 PTGES (0.39) PTGESIRAK4SYK
SCHEMBL12058194 0.79 IRAK4 (0.37) PTGESIRAK4SYK
SCHEMBL12057979 0.79 PTPN11 (0.35) PTGESIRAK4SYKPTPN11TYK2

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 PTGES 2502/4885IRAK4 706/4885PIK3CD 3508/4885

“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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