SCHEMBL19686790

SCHEMBL19686790

Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N(CCO)CCO)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 16/20 0.42
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
IDH2 P48735 1/20 0.33
KCNN2 Q9H2S1 1/20 0.32
KCNN3 Q9UGI6 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 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
SCHEMBL24061524 0.91 IDH1 (0.43) IDH1IDH2KCNN2KCNN3ADORA2A
SCHEMBL19686789 0.90 IDH1 (0.43) IDH1ALDH1A1LMNAIDH2
SCHEMBL19687445 0.83 IDH1 (0.44) IDH1ALDH1A1IDH2KCNN2KCNN3
SCHEMBL19686706 0.83 IDH1 (0.47) IDH1IDH2KCNN2KCNN3
SCHEMBL21144172 0.83 IDH1 (0.46) IDH1IDH2KCNN2KCNN3
SCHEMBL31127071 0.83 IDH1 (0.46) IDH1IDH2KCNN2KCNN3
SCHEMBL19686279 0.83 IDH1 (0.51) IDH1LMNAIDH2KCNN2KCNN3
SCHEMBL19686275 0.81 IDH1 (0.49) IDH1IDH2KCNN2KCNN3
SCHEMBL21144440 0.80 IDH1 (0.47) IDH1IDH2KCNN2KCNN3
SCHEMBL31127219 0.80 IDH1 (0.47) IDH1IDH2KCNN2KCNN3

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 3017/4885ALDH1A1 1320/4885LMNA 1529/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885ALDH1A1 1320/4885LMNA 1529/4885

“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.