SCHEMBL19686909

SCHEMBL19686909

Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCO[C@@H](CO)C3)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.47
ADORA1 P30542 14/20 0.47
KCNN2 Q9H2S1 1/20 0.45
KCNN3 Q9UGI6 1/20 0.45
CYP1A2 P05177 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LRRK2 Q5S007 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
SCHEMBL19686526 1.00 ADORA2A (0.47) ADORA2AADORA1KCNN2KCNN3CYP1A2
SCHEMBL31127310 1.00 ADORA2A (0.47) ADORA2AADORA1KCNN2KCNN3CYP1A2
SCHEMBL19686525 1.00 ADORA2A (0.47) ADORA2AADORA1KCNN2KCNN3CYP1A2
SCHEMBL19687421 0.90 ADORA2A (0.46) ADORA2AADORA1KCNN2KCNN3CYP1A2
SCHEMBL19687068 0.89 KCNN2 (0.42) ADORA2AADORA1KCNN2KCNN3CYP1A2
SCHEMBL19687424 0.89 ADORA2A (0.47) ADORA2AADORA1KCNN2KCNN3CYP1A2
SCHEMBL19687122 0.88 KCNN2 (0.42) ADORA2AADORA1KCNN2KCNN3CYP1A2
SCHEMBL19686946 0.88 KCNN2 (0.48) ADORA2AADORA1KCNN2KCNN3CYP1A2
SCHEMBL19687077 0.87 KCNN2 (0.47) ADORA2AADORA1KCNN2KCNN3CYP1A2
SCHEMBL19686902 0.86 ADORA2A (0.50) ADORA2AADORA1KCNN2KCNN3CYP1A2

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 3 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-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 (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 ADORA2A 1711/4885ADORA1 1011/4885KCNN2 5/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885KCNN2 5/4885

“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.