SCHEMBL21143733

SCHEMBL21143733

N#Cc1nc(N2CCOCC2)cc(N(C(=O)O)C2CCC(F)(F)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.41
PIK3CB P42338 1/20 0.41
CTSL P07711 8/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR119 Q8TDV5 1/20 0.34
PKM P14618 1/20 0.34
MAP3K12 Q12852 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AKT1 P31749 1/20 0.33
MTOR P42345 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL19687233 0.86 GPR119 (0.44) PIK3CAPIK3CBCTSLGPR119CTSK
SCHEMBL20399551 0.82 KMT2A (0.46) PIK3CBHTTATMPKMALDH1A1
SCHEMBL20399778 0.82 RAF1 (0.39) PIK3CAPIK3CBL3MBTL1PKMAKT1
SCHEMBL21143805 0.82 PIK3CB (0.33) PIK3CAPIK3CBHTTATMPKM
SCHEMBL21144115 0.77 ADORA2A (0.35) HTTATMCYP1A2SMN1; SMN2
SCHEMBL21144429 0.77 IDH1 (0.43) PIK3CAMTOR
SCHEMBL20153240 0.77 NAPEPLD (0.33) PIK3CAPIK3CBPKMALDH1A1HSD17B10
SCHEMBL21144074 0.77 IDH1 (0.43) PIK3CAHTTPKMAKT1MTOR
SCHEMBL21144117 0.77 NPSR1 (0.32) PIK3CAHTTATMPKMAKT1
SCHEMBL21143649 0.77 PIK3CA (0.33) PIK3CAHTTATMALDH1A1KDM4E

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 2 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

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 PIK3CA 1182/4885PIK3CB 1086/4885CTSL 4354/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 PIK3CA 1182/4885PIK3CB 1086/4885CTSL 4354/4885

“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.