SCHEMBL860962

SCHEMBL860962

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 4/20 0.41
PIM1 P11309 7/20 0.41
PIM2 Q9P1W9 6/20 0.41
PIM3 Q86V86 5/20 0.41
FLT3 P36888 1/20 0.41
HPGD P15428 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
TTR P02766 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
AKR1B1 P15121 1/20 0.38
MGAM O43451 2/20 0.37
GAA P10253 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
MTOR P42345 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 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
SCHEMBL860963 1.00 SMPD3 (0.41) SMPD3PIM1PIM2PIM3FLT3
SCHEMBL12979127 1.00 SMPD3 (0.41) SMPD3PIM1PIM2PIM3FLT3
SCHEMBL12979070 0.83 SMPD3 (0.42) SMPD3FLT3IRAK4GAAMAPT
SCHEMBL851079 0.83 SMPD3 (0.42) SMPD3FLT3IRAK4GAAMAPT
SCHEMBL851080 0.83 SMPD3 (0.42) SMPD3FLT3IRAK4GAAMAPT
SCHEMBL13021379 0.83 IRAK4 (0.39) SMPD3FLT3IRAK4
SCHEMBL860108 0.80 SMPD3 (0.50) SMPD3FLT3IRAK4
SCHEMBL13021200 0.79 SMPD3 (0.40) SMPD3FLT3IRAK4
SCHEMBL14679091 0.79 SMPD3 (0.39) SMPD3FLT3IRAK4
SCHEMBL2027149 0.78 CSNK2B (0.40) PIM1PIM2PIM3FLT3

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 4 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
EP-2432473-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS Cylene Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
WO-2010135581-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2010-11-25 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-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS PIM1, PIM2, PIM3 SMPD3 4539/4885PIM1 1/4885PIM2 2/4885

“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.