SCHEMBL19686967

SCHEMBL19686967

Cc1nc(-c2nc(NC3CCCCC3)cc(N3CCS(=O)(=O)CC3)n2)cs1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.45
PRKD1 Q15139 10/20 0.42
PRKD2 Q9BZL6 10/20 0.42
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
HTR6 P50406 1/20 0.40
ADRB1 P08588 1/20 0.38
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 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
SCHEMBL19686375 0.89 IDH1 (0.44) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL19686986 0.84 HRH4 (0.45) HRH4PRKD1PRKD2CHRM3PDE4A
SCHEMBL19686670 0.80 HRH4 (0.45) HRH4PRKD1PRKD2CHRM3PDE4A
SCHEMBL31127109 0.80 HRH4 (0.45) HRH4PRKD1PRKD2CHRM3PDE4A
SCHEMBL21143724 0.76 CDC7 (0.46) PRKD2PDE4ANUDT1MEN1LMNA
SCHEMBL19686975 0.74 IDH1 (0.45)
SCHEMBL19686671 0.73 IDH1 (0.43) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL21165938 0.69 HRH4 (0.44) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL21165821 0.69 HRH4 (0.36) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL19686983 0.69 IDH1 (0.44)

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 2164/4885PRKD1 1908/4885PRKD2 1610/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 HRH4 2164/4885PRKD1 1908/4885PRKD2 1610/4885

“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.