SCHEMBL12057977

SCHEMBL12057977

Nc1nc(Cl)c(-c2cc3cncnc3o2)c(N[C@H]2CC[C@@H](CO)C2)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ SYK P43405 4/20 0.33
▸ CCNT1 O60563 1/20 0.32
▸ NR1I2 O75469 1/20 0.31
▸ ALB P02768 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 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
SCHEMBL12058174 0.85 IRAK4 (0.37) IRAK4SYKNR1I2ALBPDE4D
SCHEMBL12057752 0.84 MKNK1 (0.36) IRAK4SYKCCNT1
SCHEMBL12058133 0.82 NAMPT (0.38) IRAK4SYK
SCHEMBL12058062 0.81 JAK1 (0.34) IRAK4SYKCCNT1NR1I2ALB
SCHEMBL12037838 0.81 IRAK4 (0.54) IRAK4
SCHEMBL12057672 0.80 PTGES (0.39) IRAK4SYK
SCHEMBL12058058 0.79 PTGES (0.33) IRAK4SYKCCNT1JAK1TYK2
SCHEMBL12058201 0.79 IRAK4 (0.33) IRAK4CCNT1
SCHEMBL12057979 0.78 PTPN11 (0.35) IRAK4SYKNR1I2ALBPDE4D
SCHEMBL12058054 0.78 IRAK4 (0.37) IRAK4SYK

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 2 patents. 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
WO-2010022121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-02-25 — — WO 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 706/4885SYK 1033/4885CCNT1 520/4885

“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.

Send feedback