SCHEMBL12058071

SCHEMBL12058071

Nc1nc(Cl)c(-c2ccc(C=O)o2)c(N[C@H]2CC[C@@H](CO)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.38
▸ TYRO3 Q06418 1/20 0.38
▸ MERTK Q12866 1/20 0.38
▸ GAS6 Q14393 1/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.37
▸ SYK P43405 4/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ ALB P02768 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PTGES O14684 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
SCHEMBL13493553 0.83 IRAK4 (0.40) FLT3TYRO3MERTKGAS6IRAK4
SCHEMBL12037650 0.80 IRAK4 (0.59) IRAK4
SCHEMBL12057672 0.79 PTGES (0.39) IRAK4SYKPTGES
SCHEMBL13493528 0.78 IRAK4 (0.39) IRAK4SYKNR1I2ALBPDE4D
SCHEMBL10094186 0.78 IRAK4 (0.43) IRAK4SYKPTPN11NR1I2ALB
SCHEMBL12057969 0.78 APP (0.37) IRAK4SYKPTPN11PTGES
SCHEMBL12058199 0.78 IRAK4 (0.34) IRAK4SYKPTPN11PTGES
SCHEMBL12058194 0.77 IRAK4 (0.37) IRAK4SYKPTGES
SCHEMBL12058174 0.77 IRAK4 (0.37) IRAK4SYKPTPN11NR1I2ALB
SCHEMBL12058054 0.77 IRAK4 (0.37) IRAK4SYKPTGES

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 FLT3 276/4885TYRO3 549/4885MERTK 1600/4885

“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