SCHEMBL19686833

SCHEMBL19686833

CSc1nc(NC2CCC(F)(F)CC2)cc(OC2CCN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.44
IDH2 P48735 1/20 0.44
PIK3CD O00329 7/20 0.41
GPR119 Q8TDV5 5/20 0.39
SYK P43405 1/20 0.39
PIK3CA P42336 2/20 0.39
USP30 Q70CQ3 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL31127223 1.00 IDH1 (0.44) IDH1IDH2PIK3CDGPR119SYK
SCHEMBL19686828 0.94 IDH1 (0.42) IDH1IDH2PIK3CDGPR119SYK
SCHEMBL31127135 0.94 IDH1 (0.42) IDH1IDH2PIK3CDGPR119SYK
SCHEMBL21144114 0.86 GPR119 (0.47) IDH1IDH2PIK3CDGPR119SYK
SCHEMBL31127431 0.85 ADORA3 (0.34) IDH1IDH2GPR119
SCHEMBL21144356 0.85 ADORA3 (0.34) IDH1IDH2GPR119
SCHEMBL21144186 0.81 IDH1 (0.42) IDH1IDH2PIK3CDGPR119SYK
SCHEMBL21143869 0.81 IDH1 (0.42) IDH1IDH2PIK3CDGPR119SYK
SCHEMBL21143743 0.81 IDH1 (0.42) IDH1IDH2PIK3CDGPR119SYK
SCHEMBL21143925 0.80 IDH1 (0.41) IDH1IDH2PIK3CDGPR119SYK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317705-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2024-09-26 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
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 (3 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-20240317705-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885PIK3CD 897/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885PIK3CD 897/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885PIK3CD 897/4885

“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.