SCHEMBL10094045

SCHEMBL10094045

Cc1nc(-c2ccc(C#Cc3c(Cl)nc(N)nc3N[C@H]3CC[C@@H](CO)C3)s2)cs1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.31
▸ MAPT P10636 1/20 0.31
▸ FLT3 P36888 1/20 0.30
▸ TYRO3 Q06418 1/20 0.30
▸ MERTK Q12866 1/20 0.30
▸ GAS6 Q14393 1/20 0.30

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
SCHEMBL10094089 0.84 IRAK4 (0.37) IRAK4KDM4EMAPTFLT3TYRO3
SCHEMBL10093964 0.84 IRAK4 (0.50) IRAK4
SCHEMBL10094051 0.82 CYP2A6 (0.34) IRAK4TYRO3MERTK
SCHEMBL10094117 0.80 IRAK4 (0.39) IRAK4
SCHEMBL10094126 0.80 IRAK4 (0.35) IRAK4
SCHEMBL10094094 0.78 IRAK4 (0.31) IRAK4
SCHEMBL10094080 0.77 ACHE (0.36) IRAK4
SCHEMBL13492718 0.77 PIK3CA (0.42) —
SCHEMBL13492755 0.76 KDM4E (0.34) IRAK4KDM4EMAPTFLT3TYRO3
SCHEMBL10094101 0.76 IRAK4 (0.33) IRAK4FLT3TYRO3MERTKGAS6

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 951/4885KDM4E 2238/4885MAPT 190/4885

“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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