SCHEMBL3099375

SCHEMBL3099375

Cc1nc(N2CCOCC2)nc(C)c1NC(=O)Cc1ccc(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.48
PIK3CD O00329 4/20 0.48
PIK3CB P42338 4/20 0.48
PIK3CA P42336 3/20 0.48
EPHX2 P34913 1/20 0.47
GPR183 P32249 1/20 0.47
KCNQ2 O43526 1/20 0.47
CYP3A4 P08684 2/20 0.45
PIK3CG P48736 2/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK15 Q8TD08 1/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.43
WNT3A P56704 1/20 0.43
GAA P10253 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
KCNJ6 P48051 1/20 0.43
KCNJ5 P48544 1/20 0.43
KCNJ3 P48549 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL3101326 0.88 PIK3CA (0.49) AKT1PIK3CDPIK3CBPIK3CAEPHX2
SCHEMBL969480 0.87 AKT1 (0.53) AKT1PIK3CDPIK3CBPIK3CACYP3A4
SCHEMBL30794797 0.86 KDM4E (0.53) AKT1PIK3CDPIK3CBPIK3CAKCNQ2
SCHEMBL3109034 0.86 KDM4E (0.53) AKT1PIK3CDPIK3CBPIK3CAKCNQ2
SCHEMBL2435553 0.83 GPR183 (0.56) AKT1PIK3CDPIK3CBPIK3CAEPHX2
SCHEMBL2432710 0.77 GPR183 (0.50) AKT1PIK3CDPIK3CBPIK3CAEPHX2
SCHEMBL30795263 0.77 GPR183 (0.50) AKT1PIK3CDPIK3CBPIK3CAEPHX2
SCHEMBL2435168 0.77 MAPT (0.57) AKT1PIK3CDPIK3CBPIK3CAEPHX2
SCHEMBL30795653 0.77 MAPT (0.57) AKT1PIK3CDPIK3CBPIK3CAEPHX2
SCHEMBL30824698 0.76 PIK3CD (0.54) AKT1PIK3CDPIK3CBPIK3CACYP3A4

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256145-A1 USE OF KCNQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. LUNDBECK A/S (DK) 2010-10-07 US claimed
EP-2185149-A1 USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. Lundbeck A/S (DK) 2010-05-19 EP claimed
US-7683058-B2 Substituted pyrimidine derivatives H. LUNDBECK A/S (DK) 2010-03-23 US claimed
WO-2009015667-A1 USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. LUNDBECK A/S (DK) 2009-02-05 WO claimed
EP-1937653-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS KCNQ POTASSIUM CHANNELS OPENERS H.Lundbeck A/S (DK) 2008-07-02 EP claimed
WO-2007065449-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS KCNQ POTASSIUM CHANNELS OPENERS H. LUNDBECK A/S (DK) 2007-06-14 WO claimed
US-20070066612-A1 Substituted pyrimidine derivatives H. LUNDBECK A/S (DK) 2007-03-22 US claimed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
EP-2554162-A1 Use of KCNQ-Openers for Treating or Reducing the Symptoms of Schizophrenia H. Lundbeck A/S (DK) 2013-02-06 EP disclosed
EP-1937653-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS KCNQ POTASSIUM CHANNELS OPENERS H.Lundbeck A/S (DK) 2008-07-02 EP disclosed
WO-2007090409-A1 USE OF KCNQ-OPENERS FOR THREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA H. LUNDBECK A/S (DK) 2007-08-16 WO disclosed
WO-2007065449-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS KCNQ POTASSIUM CHANNELS OPENERS H. LUNDBECK A/S (DK) 2007-06-14 WO disclosed
WO-2007065449-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS KCNQ POTASSIUM CHANNELS OPENERS H. LUNDBECK A/S (DK) 2007-06-14 WO disclosed
US-20070066612-A1 Substituted pyrimidine derivatives H. LUNDBECK A/S (DK) 2007-03-22 US disclosed
US-20070066612-A1 Substituted pyrimidine derivatives H. LUNDBECK A/S (DK) 2007-03-22 US disclosed
US-20070066612-A1 Substituted pyrimidine derivatives H. LUNDBECK A/S (DK) 2007-03-22 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-20070066612-A1 Substituted pyrimidine derivatives DPYD, TYMP, TYMS AKT1 3712/4885PIK3CD 1250/4885PIK3CB 1200/4885
US-20100256145-A1 USE OF KCNQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED KCNQ2, KCNQ4, KCNQ1 AKT1 4605/4885PIK3CD 1397/4885PIK3CB 1131/4885

“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.