SCHEMBL249549

SCHEMBL249549

Nc1c(Oc2ccc(F)c(C(F)(F)F)c2)nc(Br)nc1Oc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.42
CDK8 P49336 2/20 0.40
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
AR P10275 3/20 0.37
SCN9A Q15858 1/20 0.36
KDR P35968 4/20 0.35
FLT1 P17948 2/20 0.35
FLT4 P35916 2/20 0.35
F10 P00742 1/20 0.34
BRAF P15056 2/20 0.34
BTK Q06187 1/20 0.33
PLA2G7 Q13093 1/20 0.33
BACE1 P56817 1/20 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
SCHEMBL248689 0.82 TRPA1 (0.45) MPLCDK8HTR2ASLC6A4KCNH2
SCHEMBL1973743 0.81 MAPT (0.49) MPLCDK8AR
SCHEMBL1283223 0.77 ALDH1A1 (0.50) MPLCDK8HTR2ASLC6A4KCNH2
SCHEMBL7896608 0.75 MEN1 (0.46) MPLCDK8HTR2ASLC6A4KCNH2
SCHEMBL248970 0.74 F10 (0.40) MPLCDK8F10
SCHEMBL13531352 0.73 TRPA1 (0.43) CDK8HTR2ASLC6A4KCNH2AR
SCHEMBL20139790 0.71 HTR2A (0.39) MPLHTR2ASLC6A4KCNH2AR
SCHEMBL27845525 0.71 CDK8 (0.44) MPLCDK8HTR2ASLC6A4KCNH2
SCHEMBL3457149 0.70 MAPK1 (0.45) MPLCDK8HTR2ASLC6A4KCNH2
SCHEMBL2323118 0.70 ADORA2A (0.67) MPL

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367682-B2 Pyrimidine derivatives and their use as pesticides NOVARTIS AG (CH) 2013-02-05 US disclosed
WO-2012000922-A2 New Use NOVARTIS AG (CH) 2012-01-05 WO disclosed
EP-2091924-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 2011-06-22 EP disclosed
US-20100010003-A1 Pyrimidine Derivatives And Their Use As Pesticides NOVARTIS TIERGESUNDHEIT AG (CH) 2010-01-14 US disclosed
EP-2091924-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS PESTICIDES Novartis AG (CH) 2009-08-26 EP disclosed
WO-2008009691-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 2008-01-24 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-20100010003-A1 Pyrimidine Derivatives And Their Use As Pesticides DPYD, TYMP, TYMS MPL 2700/4885CDK8 2680/4885HTR2A 4275/4885

“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.