SCHEMBL12058062

SCHEMBL12058062

Cc1cc2cc(-c3c(Cl)nc(N)nc3N[C@H]3CC[C@@H](CO)C3)oc2cn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ PTGES O14684 7/20 0.33
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ SYK P43405 4/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.32
▸ CCNT1 O60563 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ ALB P02768 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ PIK3C3 Q8NEB9 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
SCHEMBL12057678 0.87 JAK1 (0.32) JAK1TYK2IRAK4SYKMKNK1
SCHEMBL12057979 0.85 PTPN11 (0.35) TYK2PTGESIRAK4SYKPTPN11
SCHEMBL12058133 0.85 NAMPT (0.38) PTGESIRAK4SYKMKNK1
SCHEMBL12057672 0.84 PTGES (0.39) PTGESIRAK4SYKMKNK1
SCHEMBL12058058 0.84 PTGES (0.33) JAK1TYK2PTGESIRAK4SYK
SCHEMBL12057967 0.84 PTGES (0.39) PTGESIRAK4SYK
SCHEMBL12058194 0.83 IRAK4 (0.37) PTGESIRAK4SYKMKNK1
SCHEMBL12057752 0.83 MKNK1 (0.36) PTGESIRAK4SYKMKNK1CCNT1
SCHEMBL13493503 0.81 IRAK4 (0.53) IRAK4
SCHEMBL12057969 0.81 APP (0.37) PTGESIRAK4SYKMKNK1PTPN11

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 JAK1 400/4885TYK2 489/4885PTGES 2502/4885

“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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