SCHEMBL13021200

SCHEMBL13021200

CN1CCCN(c2ccn3ncc(/C=C4\NC(O)NC4=O)c3n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 10/20 0.40
IRAK4 Q9NWZ3 9/20 0.40
FLT3 P36888 1/20 0.36

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
SCHEMBL12979070 0.84 SMPD3 (0.42) SMPD3IRAK4FLT3
SCHEMBL851080 0.84 SMPD3 (0.42) SMPD3IRAK4FLT3
SCHEMBL851079 0.84 SMPD3 (0.42) SMPD3IRAK4FLT3
SCHEMBL13021379 0.84 IRAK4 (0.39) SMPD3IRAK4FLT3
SCHEMBL860962 0.79 SMPD3 (0.41) SMPD3IRAK4FLT3
SCHEMBL12979127 0.79 SMPD3 (0.41) SMPD3IRAK4FLT3
SCHEMBL860963 0.79 SMPD3 (0.41) SMPD3IRAK4FLT3
SCHEMBL860108 0.79 SMPD3 (0.50) SMPD3IRAK4FLT3
SCHEMBL14679091 0.75 SMPD3 (0.39) SMPD3IRAK4FLT3
SCHEMBL861193 0.73 SMPD3 (0.51) SMPD3IRAK4

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-8367681-B2 Pyrazolopyrimidines and related heterocycles as kinase inhibitors CYLENE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 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-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS PIM1, PIM2, PIM3 SMPD3 4539/4885IRAK4 112/4885FLT3 39/4885

“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.