SCHEMBL19686828

SCHEMBL19686828

CSc1nc(NC2CCC(F)(F)CC2)cc(OC2CN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.42
IDH2 P48735 1/20 0.42
USP30 Q70CQ3 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SYK P43405 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCNT1 O60563 1/20 0.35
GPR119 Q8TDV5 5/20 0.35
CACNB4 O00305 1/20 0.34
CACNA1A O00555 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNG3 O60359 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNB3 P54284 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
SCHEMBL31127135 1.00 IDH1 (0.42) IDH1IDH2USP30ALDH1A1SYK
SCHEMBL19686833 0.94 IDH1 (0.44) IDH1IDH2USP30ALDH1A1SYK
SCHEMBL31127223 0.94 IDH1 (0.44) IDH1IDH2USP30ALDH1A1SYK
SCHEMBL21144356 0.91 ADORA3 (0.34) IDH1IDH2GPR119
SCHEMBL31127431 0.91 ADORA3 (0.34) IDH1IDH2GPR119
SCHEMBL21144186 0.85 IDH1 (0.42) IDH1IDH2USP30SYKGPR119
SCHEMBL31127247 0.84 ADORA3 (0.38)
SCHEMBL31127074 0.81 IDH1 (0.41) IDH1IDH2USP30ALDH1A1SYK
SCHEMBL19687490 0.81 IDH1 (0.41) IDH1IDH2USP30ALDH1A1SYK
SCHEMBL21143984 0.81 IDH1 (0.37) IDH1IDH2CCNT1

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 5 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-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
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 3017/4885IDH2 2447/4885USP30 3858/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885USP30 3858/4885

“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.