SCHEMBL19686677

SCHEMBL19686677

Cc1nsc(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCN4C(=O)OC[C@H]4C3)n2)n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.34
LRRK2 Q5S007 4/20 0.34
IDH1 O75874 2/20 0.32
AKT1 P31749 2/20 0.32
MAP3K5 Q99683 2/20 0.32
HRH4 Q9H3N8 1/20 0.30
SMO Q99835 1/20 0.30

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
SCHEMBL19686675 1.00 EIF2AK4 (0.34) EIF2AK4LRRK2IDH1AKT1MAP3K5
SCHEMBL19686682 1.00 EIF2AK4 (0.34) EIF2AK4LRRK2IDH1AKT1MAP3K5
SCHEMBL19687009 0.87 IDH1 (0.36) EIF2AK4LRRK2IDH1AKT1MAP3K5
SCHEMBL19686676 0.83 CXCR4 (0.34) LRRK2IDH1HRH4SMO
SCHEMBL19686678 0.80 IDH1 (0.37) IDH1HRH4
SCHEMBL21165821 0.79 HRH4 (0.36) IDH1HRH4
SCHEMBL21165860 0.77 IDH1 (0.36) IDH1HRH4
SCHEMBL19687108 0.75 AKT1 (0.36) LRRK2IDH1AKT1MAP3K5HRH4
SCHEMBL19687109 0.75 AKT1 (0.36) LRRK2IDH1AKT1MAP3K5HRH4
SCHEMBL19687110 0.75 AKT1 (0.36) LRRK2IDH1AKT1MAP3K5HRH4

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 EIF2AK4 1684/4885LRRK2 1193/4885IDH1 3017/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 EIF2AK4 1684/4885LRRK2 1193/4885IDH1 3017/4885

“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.