SCHEMBL19686386

SCHEMBL19686386

COC(=O)N1CC(Oc2cc(NC3CCCCC3)nc(-c3nccs3)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.41
ADORA1 P30542 4/20 0.41
JAK2 O60674 5/20 0.36
JAK1 P23458 5/20 0.36
JAK3 P52333 5/20 0.36
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
PRKD1 Q15139 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
CYP3A4 P08684 3/20 0.34
MEN1 O00255 2/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 2/20 0.33
PDE10A Q9Y233 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL19686391 0.90 ADORA2A (0.37) ADORA2AADORA1JAK2JAK1JAK3
SCHEMBL19686994 0.85 LMNA (0.37) JAK2JAK1JAK3MEN1TSHR
SCHEMBL19686383 0.82 NPC1 (0.36) JAK2JAK1JAK3MEN1KMT2A
SCHEMBL19687011 0.80 PDE10A (0.36) ADORA2AADORA1JAK2JAK3CYP3A4
SCHEMBL19687041 0.77 GRM5 (0.35) JAK2JAK1JAK3NOS3NOS1
SCHEMBL19687400 0.76 IDH1 (0.38)
SCHEMBL31127156 0.76 IDH1 (0.38)
SCHEMBL19687028 0.75 GRM5 (0.34)
SCHEMBL19686998 0.75 GRM5 (0.34) NOS3NOS1NOS2
SCHEMBL31127077 0.75 GRM5 (0.34) NOS3NOS1NOS2

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-20240317705-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2024-09-26 US disclosed
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
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 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 (3 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-20240317705-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885JAK2 2732/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885JAK2 2732/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885JAK2 2732/4885

“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.