SCHEMBL19691024

SCHEMBL19691024

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.43
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GBA1 P04062 1/20 0.42
ADORA2A P29274 5/20 0.41
ALK Q9UM73 1/20 0.41
ADORA1 P30542 4/20 0.41
CDK4 P11802 2/20 0.40
CCND1 P24385 1/20 0.40
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40
SLC2A1 P11166 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AURKA O14965 2/20 0.40
EGFR P00533 1/20 0.40
SYK P43405 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
PTPN7 P35236 1/20 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
SCHEMBL19690913 0.88 HTT (0.48) BPTFTSHRNPSR1GBA1ADORA2A
SCHEMBL19690912 0.85 BPTF (0.43) BPTFTSHRNPSR1GBA1ADORA2A
SCHEMBL19690876 0.85 AURKA (0.48) BPTFTSHRNPSR1GBA1ADORA2A
SCHEMBL19690934 0.84 ADORA2A (0.56) BPTFTSHRNPSR1GBA1ADORA2A
SCHEMBL19690893 0.84 AURKA (0.47) BPTFTSHRNPSR1GBA1ADORA2A
SCHEMBL19690986 0.82 GBA1 (0.44) BPTFTSHRNPSR1GBA1ADORA2A
SCHEMBL19691074 0.81 AURKA (0.48) GBA1SMN1; SMN2AURKAEGFRSYK
SCHEMBL19690977 0.79 CTSC (0.50) SMN1; SMN2USP2CREBBP
SCHEMBL19690860 0.77 HTT (0.43) TSHRNPSR1GBA1ADORA2AALK
SCHEMBL19691065 0.77 HTT (0.43) GBA1ADORA2AALKADORA1SMN1; 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-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 BPTF 3505/4885TSHR 2859/4885NPSR1 934/4885

“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.