SCHEMBL21166186

SCHEMBL21166186

CC(C)(C)OC(=O)Nc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 7/20 0.41
IDH2 P48735 3/20 0.39
SYK P43405 1/20 0.38
MAPKAPK2 P49137 3/20 0.37
CNR1 P21554 1/20 0.37
TSHR P16473 1/20 0.37
FSHR P23945 1/20 0.37
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
DGAT1 O75907 1/20 0.35
RORC P51449 2/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCR5 P51681 1/20 0.34
S1PR2 O95136 1/20 0.34

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
SCHEMBL31127253 1.00 IDH1 (0.41) IDH1IDH2SYKMAPKAPK2CNR1
SCHEMBL31127113 0.86 IDH1 (0.37) IDH1IDH2SYKMAPKAPK2TSHR
SCHEMBL21166187 0.86 IDH1 (0.37) IDH1IDH2SYKMAPKAPK2TSHR
SCHEMBL21166188 0.85 IDH1 (0.36) IDH1IDH2SYKMAPKAPK2TSHR
SCHEMBL31127187 0.85 IDH1 (0.36) IDH1IDH2SYKMAPKAPK2TSHR
SCHEMBL21143813 0.84 IDH1 (0.41) IDH1IDH2CNR1GSK3BDYRK1A
SCHEMBL21165855 0.81 IDH1 (0.41) IDH1IDH2SYKDGAT1RORC
SCHEMBL19686875 0.78 IDH1 (0.47) IDH1IDH2CNR1
SCHEMBL19687160 0.77 IDH1 (0.39) IDH1IDH2MAPKAPK2RORC
SCHEMBL31127122 0.77 IDH1 (0.39) IDH1IDH2MAPKAPK2RORC

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 3017/4885IDH2 2447/4885SYK 3716/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885SYK 3716/4885

“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.