SCHEMBL19686986

SCHEMBL19686986

Cc1csc(-c2nc(NC3CCCCC3)cc(N3CCS(=O)(=O)CC3)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.45
CHRM3 P20309 2/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
NUDT1 P36639 1/20 0.41
PRKD1 Q15139 6/20 0.40
PRKD2 Q9BZL6 6/20 0.40
HTR6 P50406 1/20 0.40
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
ADRB1 P08588 1/20 0.36
KCNN2 Q9H2S1 1/20 0.36
KCNN3 Q9UGI6 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL19686671 0.89 IDH1 (0.43) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL21165938 0.86 HRH4 (0.44) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL19686967 0.84 HRH4 (0.45) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL31127109 0.84 HRH4 (0.45) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL19686670 0.84 HRH4 (0.45) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL19686988 0.82 HRH4 (0.43) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL19686476 0.80 CHRM3 (0.46) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL19686472 0.79 IDH1 (0.44) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL19686478 0.77 HRH4 (0.47) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL19687040 0.77 PDE10A (0.40) HRH4CHRM3PDE4APDE4BPDE4C

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 HRH4 2164/4885CHRM3 631/4885PDE4A 875/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 HRH4 2164/4885CHRM3 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.