SCHEMBL19687045

SCHEMBL19687045

Cc1cc(C)n(-c2nc(NC3CC(F)(F)C3)cc(N3CCOCC3)n2)n1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.63
ADORA1 P30542 10/20 0.63
KCNN2 Q9H2S1 1/20 0.48
KCNN3 Q9UGI6 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
ALOX15 P16050 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.45
EGFR P00533 1/20 0.45
KMT2A Q03164 1/20 0.43

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
SCHEMBL19687412 0.91 ADORA2A (0.57) ADORA2AADORA1KCNN2KCNN3SMN1; SMN2
SCHEMBL19686815 0.90 ADORA2A (0.61) ADORA2AADORA1KCNN2KCNN3SMN1; SMN2
SCHEMBL19686779 0.87 ADORA2A (0.64) ADORA2AADORA1KCNN2KCNN3SMN1; SMN2
SCHEMBL2448351 0.83 ADORA2A (0.62) ADORA2AADORA1KCNN2KCNN3SMN1; SMN2
SCHEMBL19686443 0.83 ADORA2A (0.42) ADORA2AADORA1SMN1; SMN2LMNAGAA
SCHEMBL19686750 0.80 ADORA2A (0.61) ADORA2AADORA1KCNN2KCNN3SMN1; SMN2
SCHEMBL21143828 0.79 KCNN3 (0.55) KCNN2KCNN3ALOX15LMNAALDH1A1
SCHEMBL19686494 0.79 ADORA2A (0.48) ADORA2AADORA1KCNN2KCNN3SMN1; SMN2
SCHEMBL19687383 0.79 ADORA2A (0.53) ADORA2AADORA1KCNN2KCNN3SMN1; SMN2
SCHEMBL19686946 0.78 KCNN2 (0.48) ADORA2AADORA1KCNN2KCNN3SMN1; SMN2

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.