SCHEMBL19687086

SCHEMBL19687086

Cc1csc(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOC(CNC(=O)OC(C)(C)C)C3)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.35
RAF1 P04049 5/20 0.34
BRAF P15056 4/20 0.34
IDH2 P48735 2/20 0.32
ACACB O00763 5/20 0.32
ACACA Q13085 5/20 0.32
RORC P51449 1/20 0.32
PPARA Q07869 1/20 0.31
MAPK1 P28482 1/20 0.31
KIF18A Q8NI77 1/20 0.31
CKS1B P61024 1/20 0.30
SKP1 P63208 1/20 0.30
SKP2 Q13309 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
SCHEMBL19687081 0.85 IDH1 (0.37) IDH1RAF1BRAFIDH2KIF18A
SCHEMBL19686474 0.85 IDH1 (0.38) IDH1IDH2KIF18A
SCHEMBL19687013 0.84 IDH1 (0.36) IDH1IDH2
SCHEMBL19686674 0.84 IDH1 (0.36) IDH1IDH2
SCHEMBL19687017 0.84 IDH1 (0.36) IDH1IDH2
SCHEMBL19687070 0.83 IDH1 (0.36) IDH1IDH2
SCHEMBL19687069 0.82 IDH1 (0.36) IDH1IDH2
SCHEMBL19686649 0.78 IDH1 (0.44) IDH1IDH2
SCHEMBL19686470 0.76 IDH1 (0.41) IDH1IDH2
SCHEMBL19686475 0.76 IDH1 (0.41) IDH1IDH2KIF18A

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 IDH1 3017/4885RAF1 470/4885BRAF 2033/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885RAF1 470/4885BRAF 2033/4885

“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.