SCHEMBL860108

SCHEMBL860108

CN1CCCN(c2ccn3ncc(C=O)c3n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 14/20 0.50
IRAK4 Q9NWZ3 4/20 0.46
PARP1 P09874 1/20 0.40
FLT3 P36888 1/20 0.39

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
SCHEMBL20015889 0.88 SMPD3 (0.62) SMPD3IRAK4
SCHEMBL20015989 0.87 SMPD3 (0.63) SMPD3IRAK4PARP1
SCHEMBL12979070 0.81 SMPD3 (0.42) SMPD3IRAK4FLT3
SCHEMBL851080 0.81 SMPD3 (0.42) SMPD3IRAK4FLT3
SCHEMBL851079 0.81 SMPD3 (0.42) SMPD3IRAK4FLT3
SCHEMBL12979127 0.80 SMPD3 (0.41) SMPD3IRAK4FLT3
SCHEMBL860963 0.80 SMPD3 (0.41) SMPD3IRAK4FLT3
SCHEMBL860962 0.80 SMPD3 (0.41) SMPD3IRAK4FLT3
SCHEMBL13021200 0.79 SMPD3 (0.40) SMPD3IRAK4FLT3
SCHEMBL14679091 0.78 SMPD3 (0.39) SMPD3IRAK4FLT3

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 15 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-8367681-B2 Pyrazolopyrimidines and related heterocycles as kinase inhibitors CYLENE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367681-B2 Pyrazolopyrimidines and related heterocycles as kinase inhibitors CYLENE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
EP-2475652-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS Cylene Pharmaceuticals, Inc. (US) 2012-07-18 EP disclosed
EP-2432473-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS Cylene Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
US-20110071115-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-20110071115-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-20110071115-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
WO-2011031979-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS INC. (US) 2011-03-17 WO disclosed
WO-2011031979-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS INC. (US) 2011-03-17 WO disclosed
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US 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
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 (2 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-20110071115-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS PIM2, PIM1, PIM3 SMPD3 3926/4885IRAK4 202/4885PARP1 548/4885
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS PIM1, PIM2, PIM3 SMPD3 4539/4885IRAK4 112/4885PARP1 960/4885

“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.