SCHEMBL21144111

SCHEMBL21144111

Cc1ccn(-c2nc(Cl)cc(OC(=O)NC3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.39
CD38 P28907 3/20 0.37
CNR1 P21554 3/20 0.36
KDM1A O60341 4/20 0.36
IDH2 P48735 2/20 0.34
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
MAOB P27338 1/20 0.33
SPR P35270 1/20 0.33

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
SCHEMBL21144177 0.83 HTT (0.45) KDM1A
SCHEMBL21143792 0.82 IDH1 (0.37) IDH1CD38KDM1AGSK3BDYRK1A
SCHEMBL21143876 0.82 IDH1 (0.37) IDH1CD38CNR1KDM1AGSK3B
SCHEMBL19686534 0.79 IDH1 (0.48) IDH1IDH2
SCHEMBL21143810 0.77 IDH1 (0.41) IDH1CD38IDH2KCNJ6KCNJ5
SCHEMBL21144110 0.74 IDH1 (0.35) IDH1KCNJ6KCNJ5KCNJ3
SCHEMBL21165978 0.73 IDH1 (0.47) IDH1IDH2
SCHEMBL20153241 0.73 RAF1 (0.35) IDH1CD38KDM1A
SCHEMBL19687203 0.72 IDH1 (0.34) IDH1IDH2KCNJ6KCNJ5KCNJ3
SCHEMBL21165972 0.72 IDH1 (0.47) IDH1IDH2

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 2 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

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 3017/4885CD38 3231/4885CNR1 770/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885CD38 3231/4885CNR1 770/4885

“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.