SCHEMBL19687413

SCHEMBL19687413

CCOc1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN2 Q9H2S1 1/20 0.55
KCNN3 Q9UGI6 1/20 0.55
NPSR1 Q6W5P4 4/20 0.46
ALOX15 P16050 3/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NR2F2 P24468 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
S1PR2 O95136 1/20 0.43
XBP1 P17861 1/20 0.43
PPP1CA P62136 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA2A P29274 7/20 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
SCHEMBL31127314 1.00 KCNN2 (0.55) KCNN2KCNN3NPSR1ALOX15MAPK1
SCHEMBL19686892 0.89 KCNN2 (0.57) KCNN2KCNN3NPSR1ALOX15MAPK1
SCHEMBL19686331 0.88 KCNN2 (0.48) KCNN2KCNN3NPSR1ALOX15MAPK1
SCHEMBL19686948 0.87 KCNN2 (0.54) KCNN2KCNN3NPSR1ALOX15MAPK1
SCHEMBL19686804 0.86 KCNN3 (0.73) KCNN2KCNN3NPSR1ALOX15SMN1; SMN2
SCHEMBL19687481 0.85 KCNN2 (0.46) KCNN2KCNN3NPSR1ALOX15MAPK1
SCHEMBL19686322 0.85 KCNN2 (0.46) KCNN2KCNN3NPSR1ALOX15MAPK1
SCHEMBL31127224 0.85 KCNN2 (0.46) KCNN2KCNN3NPSR1ALOX15MAPK1
SCHEMBL19686943 0.85 KCNN2 (0.57) KCNN2KCNN3NPSR1ALOX15MAPK1
SCHEMBL19686269 0.85 KCNN2 (0.46) KCNN2KCNN3NPSR1ALOX15MAPK1

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 5 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
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 KCNN2 5/4885KCNN3 11/4885NPSR1 993/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 KCNN2 5/4885KCNN3 11/4885NPSR1 993/4885

“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.