SCHEMBL19690934

SCHEMBL19690934

CC(=O)N1CCN(c2cc(Nc3ccc(C=O)cc3)nc(-n3nc(C)cc3C)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.56
ADORA1 P30542 10/20 0.55
TP53 P04637 2/20 0.48
BPTF Q12830 1/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.45
ALOX15 P16050 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.45
HIF1A Q16665 1/20 0.45
GBA1 P04062 1/20 0.45
KCNH2 Q12809 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL19690885 0.88 POLB (0.62) ADORA2AADORA1TP53BPTFPOLB
SCHEMBL19691028 0.86 ADORA2A (0.56) ADORA2AADORA1TP53BPTFPOLB
SCHEMBL19690896 0.86 ADORA2A (0.55) ADORA2AADORA1TP53BPTFPOLB
SCHEMBL19690954 0.85 ADORA2A (0.56) ADORA2AADORA1TP53BPTFPOLB
SCHEMBL19691024 0.84 BPTF (0.43) ADORA2AADORA1BPTFPOLBALOX15
SCHEMBL19690943 0.83 ADORA2A (0.59) ADORA2AADORA1TP53POLBLMNA
SCHEMBL19690984 0.82 ADORA2A (0.55) ADORA2AADORA1POLBALOX15MAPT
SCHEMBL19690839 0.80 ADORA2A (0.53) ADORA2AADORA1POLBALOX15MAPT
SCHEMBL19690833 0.80 ADORA2A (0.52) ADORA2AADORA1TP53POLBLMNA
SCHEMBL19690944 0.78 ADORA2A (0.55) ADORA2AADORA1POLBALOX15MAPT

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-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US 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 (1 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-20170355708-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ADORA2A 1792/4885ADORA1 965/4885TP53 4484/4885

“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.