SCHEMBL19686601

SCHEMBL19686601

COCc1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN2 Q9H2S1 1/20 0.54
KCNN3 Q9UGI6 1/20 0.54
ADORA2A P29274 14/20 0.41
ADORA1 P30542 11/20 0.41
CYP1A2 P05177 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
ALOX15 P16050 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NR2F2 P24468 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL19687429 0.90 KCNN2 (0.50) KCNN2KCNN3ADORA2AADORA1CYP1A2
SCHEMBL31127078 0.90 KCNN2 (0.50) KCNN2KCNN3ADORA2AADORA1CYP1A2
SCHEMBL19686594 0.89 KCNN2 (0.57) KCNN2KCNN3ADORA2AADORA1CYP1A2
SCHEMBL19686803 0.89 KCNN2 (0.57) KCNN2KCNN3ADORA2AADORA1CYP1A2
SCHEMBL19686943 0.89 KCNN2 (0.57) KCNN2KCNN3ADORA2AADORA1CYP1A2
SCHEMBL19686929 0.88 KCNN2 (0.56) KCNN2KCNN3ADORA2AADORA1CYP1A2
SCHEMBL31127252 0.88 KCNN2 (0.56) KCNN2KCNN3ADORA2AADORA1CYP1A2
SCHEMBL19686781 0.86 KCNN2 (0.54) KCNN2KCNN3ADORA2AADORA1ALOX15
SCHEMBL19686286 0.86 KCNN2 (0.54) KCNN2KCNN3ADORA2AADORA1CYP1A2
SCHEMBL21143595 0.86 KCNN2 (0.54) KCNN2KCNN3ADORA2AADORA1CYP1A2

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 KCNN2 5/4885KCNN3 11/4885ADORA2A 1711/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 KCNN2 5/4885KCNN3 11/4885ADORA2A 1711/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 KCNN2 5/4885KCNN3 11/4885ADORA2A 1711/4885

“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.