SCHEMBL10094112

SCHEMBL10094112

Cc1ccncc1-c1c(Cl)nc(N)nc1N[C@H]1CC[C@@H](CO)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.37
▸ ATAD2 Q6PL18 2/20 0.37
▸ MAP4K1 Q92918 11/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ ABL1 P00519 2/20 0.33

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
SCHEMBL10094110 0.82 PTPN11 (0.39) IRAK4PTPN11JAK1TYK2
SCHEMBL12057752 0.81 MKNK1 (0.36) IRAK4
SCHEMBL12058133 0.81 NAMPT (0.38) IRAK4
SCHEMBL10094250 0.81 IRAK4 (0.38) IRAK4PTPN11JAK1TYK2
SCHEMBL10094255 0.81 IRAK4 (0.41) IRAK4PTPN11
SCHEMBL10094230 0.80 GHSR (0.37) IRAK4PTPN11JAK1TYK2
SCHEMBL10094176 0.80 DYRK1A (0.37) IRAK4DYRK1APTPN11JAK1
SCHEMBL10094042 0.80 IRAK4 (0.57) IRAK4
SCHEMBL10094144 0.79 IRAK4 (0.37) BRD4ATAD2IRAK4PTPN11JAK1
SCHEMBL10094243 0.79 IRAK4 (0.37) IRAK4PTPN11JAK1TYK2

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 BRD4 1726/4885ATAD2 4582/4885MAP4K1 2494/4885

“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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