SCHEMBL19686474

SCHEMBL19686474

CCC1CN(c2cc(NC3CCC(F)(F)CC3)nc(-c3nc(C)cs3)n2)CCO1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 10/20 0.38
AKT1 P31749 1/20 0.34
IDH2 P48735 1/20 0.33
MAP3K12 Q12852 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
KIF18A Q8NI77 1/20 0.31
ADORA2A P29274 1/20 0.30
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
SCHEMBL19687081 0.93 IDH1 (0.37) IDH1AKT1IDH2IRAK4KIF18A
SCHEMBL19687069 0.92 IDH1 (0.36) IDH1AKT1IDH2HRH4IRAK4
SCHEMBL19687013 0.91 IDH1 (0.36) IDH1IDH2IRAK4ADORA2A
SCHEMBL19687017 0.91 IDH1 (0.36) IDH1IDH2IRAK4ADORA2A
SCHEMBL19686674 0.91 IDH1 (0.36) IDH1IDH2IRAK4ADORA2A
SCHEMBL19687070 0.90 IDH1 (0.36) IDH1IDH2
SCHEMBL19686649 0.86 IDH1 (0.44) IDH1IDH2IRAK4ADORA2A
SCHEMBL19687086 0.85 IDH1 (0.35) IDH1IDH2KIF18A
SCHEMBL19686472 0.83 IDH1 (0.44) IDH1IDH2HRH4
SCHEMBL19686473 0.83 IDH1 (0.41) IDH1IDH2HRH4IRAK4ADORA2A

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 3017/4885AKT1 3340/4885IDH2 2447/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885AKT1 3340/4885IDH2 2447/4885

“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.