SCHEMBL19686434

SCHEMBL19686434

COc1cc(NC2CC(F)(F)C2)nc(-n2nc(C)cc2C)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN2 Q9H2S1 1/20 0.53
KCNN3 Q9UGI6 1/20 0.53
LMNA P02545 6/20 0.44
NPSR1 Q6W5P4 4/20 0.44
HIF1A Q16665 1/20 0.44
ALOX15 P16050 2/20 0.43
CYP1A2 P05177 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 3/20 0.40
TP53 P04637 3/20 0.40
MAPT P10636 3/20 0.40
ADORA2A P29274 2/20 0.40
CYP3A4 P08684 2/20 0.40
ADORA1 P30542 1/20 0.40
CYP2C19 P33261 2/20 0.40
MAPK1 P28482 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 2/20 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
SCHEMBL19686892 0.89 KCNN2 (0.57) KCNN2KCNN3LMNANPSR1HIF1A
SCHEMBL20444097 0.86 KCNN2 (0.56) KCNN2KCNN3LMNANPSR1HIF1A
SCHEMBL21165969 0.84 KCNN2 (0.59) KCNN2KCNN3LMNANPSR1HIF1A
SCHEMBL21165965 0.84 KCNN2 (0.76) KCNN2KCNN3LMNANPSR1HIF1A
SCHEMBL21143828 0.84 KCNN3 (0.55) KCNN2KCNN3LMNANPSR1ALOX15
SCHEMBL19687429 0.84 KCNN2 (0.50) KCNN2KCNN3LMNANPSR1HIF1A
SCHEMBL31127078 0.84 KCNN2 (0.50) KCNN2KCNN3LMNANPSR1HIF1A
SCHEMBL31127124 0.82 KCNN3 (0.53) KCNN2KCNN3LMNANPSR1ALOX15
SCHEMBL21143986 0.82 KCNN3 (0.53) KCNN2KCNN3LMNANPSR1ALOX15
SCHEMBL21143794 0.81 KCNN2 (0.52) KCNN2KCNN3LMNANPSR1ALOX15

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 KCNN2 5/4885KCNN3 11/4885LMNA 1529/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 KCNN2 5/4885KCNN3 11/4885LMNA 1529/4885

“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.