SCHEMBL19687110

SCHEMBL19687110

Cc1csc(-c2cc(N3CCN4C(=O)OC[C@H]4C3)cc(NC3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.36
MAP3K5 Q99683 2/20 0.36
IDH1 O75874 6/20 0.32
IDH2 P48735 1/20 0.32
LRRK2 Q5S007 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
SCD O00767 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
SCHEMBL19687108 1.00 AKT1 (0.36) AKT1MAP3K5IDH1IDH2LRRK2
SCHEMBL19687109 1.00 AKT1 (0.36) AKT1MAP3K5IDH1IDH2LRRK2
SCHEMBL19687009 0.86 IDH1 (0.36) AKT1MAP3K5IDH1IDH2LRRK2
SCHEMBL19687111 0.83 HRH4 (0.34) IDH1IDH2HRH4SCD
SCHEMBL21165846 0.80 PIK3R2 (0.40) AKT1IDH1IDH2HRH4
SCHEMBL21144156 0.80 IDH1 (0.36) IDH1IDH2HRH4
SCHEMBL21165913 0.79 IDH1 (0.35) IDH1IDH2HRH4SCD
SCHEMBL19686419 0.78 IDH1 (0.37) IDH1IDH2HRH4
SCHEMBL21165847 0.77 IDH1 (0.36) IDH1IDH2HRH4
SCHEMBL19686416 0.77 IDH1 (0.37) MAP3K5IDH1IDH2HRH4

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 AKT1 3340/4885MAP3K5 357/4885IDH1 3017/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 AKT1 3340/4885MAP3K5 357/4885IDH1 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.