SCHEMBL12058302

SCHEMBL12058302

Cc1cc2cc(-c3c(C)nc(NCC4CCOCC4)nc3N[C@H]3CC[C@@H](CO)C3)oc2c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.36
▸ SYK P43405 4/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ VCP P55072 5/20 0.34
▸ KCNH3 Q9ULD8 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ MERTK Q12866 2/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ GAS6 Q14393 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RECQL P46063 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
SCHEMBL12057848 0.93 IRAK4 (0.34) IRAK4VCPKDM4EMERTKFLT3
SCHEMBL12057712 0.87 IRAK4 (0.34) IRAK4VCPKDM4EATMPTPN11
SCHEMBL12057987 0.87 PTPN11 (0.32) PTPN11
SCHEMBL12058185 0.86 VCP (0.34) CCNT1IRAK4VCPKDM4EATM
SCHEMBL13493510 0.85 IRAK4 (0.34) CCNT1SYKIRAK4VCPKDM4E
SCHEMBL12057865 0.85 IRAK4 (0.34) CCNT1SYKIRAK4VCPKDM4E
SCHEMBL12038204 0.84 IRAK4 (0.51) IRAK4
SCHEMBL12038597 0.81 IRAK4 (0.53) IRAK4
SCHEMBL12057921 0.81 GNRHR (0.33) IRAK4PTPN11
SCHEMBL12058157 0.80 PTPN11 (0.32) PTPN11

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 2 patents. 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
WO-2010022121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-02-25 — — WO 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 CCNT1 520/4885SYK 1033/4885IRAK4 706/4885

“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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