SCHEMBL10134995

SCHEMBL10134995

CC(C)(C)OC(=O)NC1CCN(c2nc3cc(C#N)ccc3c3sccc23)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.45
ADORA2B P29275 4/20 0.45
ADORA3 P0DMS8 2/20 0.45
SUV39H2 Q9H5I1 4/20 0.44
PDE10A Q9Y233 1/20 0.43
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
KDM4D Q6B0I6 5/20 0.42
CTSK P43235 2/20 0.42
DRD2 P14416 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40

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
SCHEMBL13688007 0.88 ADORA2A (0.47) ADORA2AADORA2BADORA3SUV39H2PDE10A
SCHEMBL10134981 0.88 SMPD3 (0.47) OPRM1OPRD1OPRK1OGFRL1
SCHEMBL10134998 0.80 GBA1 (0.49) OPRM1OPRD1OGFRL1
SCHEMBL10134992 0.77 NSD2 (0.57)
SCHEMBL10134996 0.77 PRKCI (0.46) OPRM1OPRD1OPRK1OGFRL1
SCHEMBL10134906 0.76 EGLN2 (0.42) JAK3
SCHEMBL4192113 0.76 MAP4K4 (0.51) ADORA2AADORA2BADORA3PDE10A
SCHEMBL13688087 0.75 CSNK2A1 (0.43) ADORA2AADORA2BOPRM1OPRD1OPRK1
SCHEMBL30948787 0.75 PDE10A (0.49) SUV39H2PDE10AJAK3BTKKDM4D
SCHEMBL22911969 0.75 PDE10A (0.48) SUV39H2PDE10ABTK

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-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 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 (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-20120208792-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 ADORA2A 3632/4885ADORA2B 4510/4885ADORA3 3669/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 ADORA2A 3632/4885ADORA2B 4510/4885ADORA3 3669/4885

“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.