SCHEMBL19686380

SCHEMBL19686380

Cc1ccn(-c2nc(NC3CCC(F)CC3)cc(N3CC4(COC4)C3)n2)n1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.33
CHRM3 P20309 2/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
KCNN2 Q9H2S1 1/20 0.33
KCNN3 Q9UGI6 1/20 0.33
NUDT1 P36639 1/20 0.33
MAP3K12 Q12852 1/20 0.33
NAPEPLD Q6IQ20 1/20 0.32
PDE10A Q9Y233 2/20 0.31
IDH1 O75874 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
RAF1 P04049 1/20 0.31
BRAF P15056 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
SCHEMBL19686395 0.91 IDH1 (0.42) KCNN2KCNN3MAP3K12NAPEPLDIDH1
SCHEMBL19686377 0.86 PTGS2 (0.33) NAPEPLD
SCHEMBL19686381 0.85 ADORA2A (0.43) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL21165864 0.79 IDH1 (0.43) KCNN2KCNN3IDH1
SCHEMBL21143867 0.78 KCNN3 (0.38) IRAK4KCNN2KCNN3IDH1
SCHEMBL19686960 0.78 IDH1 (0.41) MAP3K12NAPEPLDIDH1
SCHEMBL31127338 0.78 IDH1 (0.41) MAP3K12NAPEPLDIDH1
SCHEMBL19687000 0.78 IDH1 (0.41) MAP3K12IDH1
Rimtuzalcap SCHEMBL19686931 0.77 IDH1 (0.43) PDE10AIDH1HRH4
Rimtuzalcap SCHEMBL29920754 0.77 IDH1 (0.43) PDE10AIDH1HRH4

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 IRAK4 1952/4885CHRM3 631/4885PDE4A 875/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IRAK4 1952/4885CHRM3 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.