SCHEMBL19686676

SCHEMBL19686676

Cc1nsc(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCN(C4COC4)CC3)n2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.34
CHRM3 P20309 2/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
IDH1 O75874 6/20 0.34
MAP3K12 Q12852 4/20 0.34
MAP3K13 O43283 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
MAP3K9 P80192 1/20 0.34
MAP3K10 Q02779 1/20 0.34
MAP3K11 Q16584 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
PDE10A Q9Y233 2/20 0.33
NUDT1 P36639 1/20 0.32
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL19686678 0.88 IDH1 (0.37) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL19687015 0.86 IDH1 (0.39) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL19686677 0.83 EIF2AK4 (0.34) HRH4IDH1LRRK2SMO
SCHEMBL19686682 0.83 EIF2AK4 (0.34) HRH4IDH1LRRK2SMO
SCHEMBL19686675 0.83 EIF2AK4 (0.34) HRH4IDH1LRRK2SMO
SCHEMBL21165860 0.83 IDH1 (0.36) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL21165821 0.83 HRH4 (0.36) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL21143679 0.76 IDH1 (0.45) IDH1MAPK8MAPK9MAP3K10LRRK2
SCHEMBL31127046 0.76 IDH1 (0.45) IDH1MAPK8MAPK9MAP3K10LRRK2
SCHEMBL19686988 0.75 HRH4 (0.43) CXCR4CHRM3PDE4APDE4BPDE4C

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 CXCR4 4412/4885CHRM3 631/4885PDE4A 875/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 CXCR4 4412/4885CHRM3 631/4885PDE4A 875/4885

“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.