SCHEMBL10094101

SCHEMBL10094101

Nc1nc(Cl)c(C#Cc2ncc(CO)s2)c(N[C@H]2CC[C@@H](CO)C2)n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ NR1I2 O75469 1/20 0.32
▸ ALB P02768 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ FLT3 P36888 1/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ GAS6 Q14393 1/20 0.31
▸ SYK P43405 4/20 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
SCHEMBL10094116 0.83 IRAK4 (0.36) IRAK4NR1I2ALBPDE4DJAK1
SCHEMBL10093971 0.81 IRAK4 (0.51) IRAK4
SCHEMBL10094224 0.81 PIK3CA (0.35) IRAK4NR1I2ALBPDE4DJAK1
SCHEMBL10094076 0.81 NR1I2 (0.32) IRAK4NR1I2ALBPDE4DJAK1
SCHEMBL10094117 0.80 IRAK4 (0.39) IRAK4NR1I2ALBPDE4DJAK1
SCHEMBL10094094 0.80 IRAK4 (0.31) IRAK4NR1I2ALBPDE4DJAK1
SCHEMBL13492781 0.80 IRAK4 (0.32) IRAK4NR1I2ALBPDE4DSYK
SCHEMBL13492718 0.79 PIK3CA (0.42) —
SCHEMBL10094107 0.78 NR1I2 (0.32) NR1I2ALBPDE4DJAK1TYK2
SCHEMBL10094126 0.78 IRAK4 (0.35) IRAK4NR1I2ALBPDE4D

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 951/4885NR1I2 113/4885ALB 2404/4885

“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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