SCHEMBL21144159

SCHEMBL21144159

OCc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.42
PIK3CA P42336 3/20 0.38
KDM4E B2RXH2 8/20 0.37
LMNA P02545 5/20 0.37
MAPT P10636 6/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 4/20 0.37
POLB P06746 3/20 0.37
NSD2 O96028 1/20 0.37
MAPK1 P28482 1/20 0.37
MPI P34949 1/20 0.37
GAA P10253 4/20 0.37
THRB P10828 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
APAF1 O14727 2/20 0.36
PAX8 Q06710 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL19687391 0.93 IDH1 (0.42) IDH1PIK3CAKDM4ELMNAMAPT
SCHEMBL19687008 0.90 IDH1 (0.40) IDH1PIK3CAKDM4ELMNAMAPT
SCHEMBL19687209 0.89 IDH1 (0.42) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL19687051 0.89 IDH1 (0.43) IDH1PIK3CAKDM4ELMNAMAPT
SCHEMBL19687055 0.88 IDH1 (0.44) IDH1PIK3CAKDM4ELMNAMAPT
SCHEMBL19687044 0.87 IDH1 (0.43) IDH1PIK3CAKDM4ELMNAMAPT
Rimtuzalcap SCHEMBL19686931 0.87 IDH1 (0.43) IDH1PIK3CAKDM4ELMNAMAPT
Rimtuzalcap SCHEMBL29920754 0.87 IDH1 (0.43) IDH1PIK3CAKDM4ELMNAMAPT
SCHEMBL19686896 0.86 IDH1 (0.42) IDH1PIK3CAKDM4ELMNAMAPT
SCHEMBL19686486 0.85 IDH1 (0.42) IDH1PIK3CAKDM4ELMNAMAPT

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-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-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

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 3017/4885PIK3CA 1182/4885KDM4E 1648/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885PIK3CA 1182/4885KDM4E 1648/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885PIK3CA 1182/4885KDM4E 1648/4885

“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.