SCHEMBL861194

SCHEMBL861194

O=C1NC(=O)C(=Cc2cnn3ccc(N4CCCCC4)nc23)N1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 12/20 0.51
IRAK4 Q9NWZ3 6/20 0.36
PIM1 P11309 2/20 0.36
PIM2 Q9P1W9 2/20 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
SCHEMBL861193 1.00 SMPD3 (0.51) SMPD3IRAK4PIM1PIM2
SCHEMBL12979110 1.00 SMPD3 (0.51) SMPD3IRAK4PIM1PIM2
SCHEMBL12979070 0.90 SMPD3 (0.42) SMPD3IRAK4
SCHEMBL851080 0.90 SMPD3 (0.42) SMPD3IRAK4
SCHEMBL851079 0.90 SMPD3 (0.42) SMPD3IRAK4
SCHEMBL12978970 0.79 CGAS (0.38) PIM1
SCHEMBL860137 0.79 CGAS (0.38) PIM1
SCHEMBL860136 0.79 CGAS (0.38) PIM1
SCHEMBL20015989 0.78 SMPD3 (0.63) SMPD3IRAK4PIM1PIM2
SCHEMBL20015889 0.77 SMPD3 (0.62) SMPD3IRAK4PIM1PIM2

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 4539/4885IRAK4 112/4885PIM1 1/4885

“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.