SCHEMBL19686476

SCHEMBL19686476

Cc1csc(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCCCC3)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
NUDT1 P36639 1/20 0.46
IDH1 O75874 10/20 0.44
HRH4 Q9H3N8 2/20 0.38
IDH2 P48735 1/20 0.38
PDE10A Q9Y233 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL19686472 0.99 IDH1 (0.44) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL19686471 0.92 IDH1 (0.44) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL19686478 0.91 HRH4 (0.47) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL19686473 0.91 IDH1 (0.41) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL19686649 0.90 IDH1 (0.44) IDH1IDH2PDE10A
SCHEMBL19686475 0.90 IDH1 (0.41) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL19686477 0.89 IDH1 (0.43) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL19686671 0.89 IDH1 (0.43) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL19686480 0.89 IDH1 (0.42) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL19687022 0.88 IDH1 (0.41) IDH1HRH4IDH2

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 CHRM3 631/4885PDE4A 875/4885PDE4B 1040/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 CHRM3 631/4885PDE4A 875/4885PDE4B 1040/4885

“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.