SCHEMBL21144356

SCHEMBL21144356

COC(=O)N1CC(Oc2cc(NC3CCC(F)(F)CC3)nc(SC)n2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
IDH1 O75874 6/20 0.33
IDH2 P48735 1/20 0.33
ROCK2 O75116 1/20 0.32
NOS1 P29475 3/20 0.32
NOS2 P35228 3/20 0.32
NOS3 P29474 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
PDE4D Q08499 2/20 0.31
ACACB O00763 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
NAMPT P43490 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL31127431 1.00 ADORA3 (0.34) ADORA3ADORA2AIDH1IDH2ROCK2
SCHEMBL19686828 0.91 IDH1 (0.42) IDH1IDH2GPR119
SCHEMBL31127135 0.91 IDH1 (0.42) IDH1IDH2GPR119
SCHEMBL31127247 0.88 ADORA3 (0.38) ADORA3ADORA2ANOS1NOS2NOS3
SCHEMBL31127223 0.85 IDH1 (0.44) IDH1IDH2GPR119
SCHEMBL19686833 0.85 IDH1 (0.44) IDH1IDH2GPR119
SCHEMBL31127073 0.84 GPR119 (0.36) IDH1IDH2ROCK2NOS1NOS2
SCHEMBL21144088 0.84 GPR119 (0.36) IDH1IDH2ROCK2NOS1NOS2
SCHEMBL21143984 0.84 IDH1 (0.37) ADORA3ADORA2AIDH1IDH2ROCK2
SCHEMBL19687004 0.83 WHR1 (0.39) IDH1IDH2ROCK2NOS1NOS2

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-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 ADORA3 1858/4885ADORA2A 1711/4885IDH1 3017/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ADORA3 1858/4885ADORA2A 1711/4885IDH1 3017/4885

“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.