SCHEMBL10094250

SCHEMBL10094250

Nc1nc(Cl)c(-c2cccnc2Cl)c(N[C@H]2CC[C@@H](CO)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 4/20 0.38
▸ PTPN11 Q06124 1/20 0.36
▸ NR1I2 O75469 1/20 0.34
▸ ALB P02768 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ SYK P43405 4/20 0.33
▸ BTK Q06187 2/20 0.32
▸ NUDT1 P36639 1/20 0.32
▸ SMO Q99835 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ PDCD1 Q15116 2/20 0.32
▸ CD274 Q9NZQ7 2/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL10094106 0.88 PDCD1 (0.40) IRAK4PTPN11PDCD1CD274
SCHEMBL10094255 0.87 IRAK4 (0.41) IRAK4PTPN11NR1I2ALBPDE4D
SCHEMBL10094252 0.86 IRAK4 (0.43) IRAK4NR1I2ALBPDE4DSYK
SCHEMBL10094111 0.86 TYK2 (0.38) IRAK4PTPN11TYK2PDCD1CD274
SCHEMBL10094186 0.83 IRAK4 (0.43) IRAK4PTPN11NR1I2ALBPDE4D
SCHEMBL12058174 0.82 IRAK4 (0.37) IRAK4PTPN11NR1I2ALBPDE4D
SCHEMBL10094112 0.81 BRD4 (0.37) IRAK4PTPN11JAK1TYK2
SCHEMBL10094110 0.80 PTPN11 (0.39) IRAK4PTPN11NR1I2ALBPDE4D
SCHEMBL10094144 0.80 IRAK4 (0.37) IRAK4PTPN11NR1I2ALBPDE4D
SCHEMBL12058246 0.79 IRAK4 (0.35) IRAK4NR1I2ALBPDE4DSYK

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-20120107271-A1 ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2012-05-03 — — 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-20120107271-A1 ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS CYP2C9, P2RX3, F12 IRAK4 951/4885PTPN11 819/4885NR1I2 113/4885

“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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