SCHEMBL12057657

SCHEMBL12057657

Nc1nc(Cl)c(-c2ccc(Oc3ccccc3)cc2)c(N[C@H]2CC[C@@H](CO)C2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.46
▸ KCNH2 Q12809 3/20 0.43
▸ TNK2 Q07912 3/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ EGFR P00533 2/20 0.39
▸ TEC P42680 1/20 0.39
▸ BMX P51813 1/20 0.39
▸ CD69 Q07108 1/20 0.39
▸ ITK Q08881 1/20 0.39
▸ ERBB4 Q15303 1/20 0.39
▸ GP6 Q9HCN6 1/20 0.39
▸ NUDT5 Q9UKK9 1/20 0.39
▸ SYK P43405 1/20 0.38

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
SCHEMBL10094186 0.91 IRAK4 (0.43) BTKIRAK4SYK
SCHEMBL10094255 0.81 IRAK4 (0.41) BTKIRAK4
SCHEMBL10094252 0.80 IRAK4 (0.43) IRAK4SYK
SCHEMBL12036733 0.80 IRAK4 (0.61) IRAK4
SCHEMBL10094144 0.79 IRAK4 (0.37) BTKIRAK4SYK
SCHEMBL10094285 0.79 PIK3CA (0.40) KCNH2SYK
SCHEMBL10094152 0.79 TYRO3 (0.37) IRAK4SYK
SCHEMBL10094048 0.78 ACHE (0.36) BTKIRAK4SYK
SCHEMBL12058044 0.77 IRAK4 (0.37) BTKIRAK4SYK
SCHEMBL10094250 0.77 IRAK4 (0.38) BTKIRAK4SYK

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-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-12-29 — — 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-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS PNP, XDH, PNPO BTK 632/4885KCNH2 2904/4885TNK2 964/4885

“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