SCHEMBL3101326

SCHEMBL3101326

Cc1nc(N2CCOCC2)nc(C)c1NC(=O)Cc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.49
MTOR P42345 1/20 0.49
PIK3CG P48736 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PIK3CD O00329 2/20 0.48
PIK3CB P42338 2/20 0.48
WNT3A P56704 1/20 0.47
AKT1 P31749 4/20 0.46
CYP3A4 P08684 3/20 0.46
CTNNB1 P35222 2/20 0.46
TCF7L2 Q9NQB0 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL3099375 0.88 AKT1 (0.48) PIK3CAPIK3CGRAB9APIK3CDPIK3CB
SCHEMBL30794797 0.87 KDM4E (0.53) PIK3CANPC1RAB9APIK3CDPIK3CB
SCHEMBL3109034 0.87 KDM4E (0.53) PIK3CANPC1RAB9APIK3CDPIK3CB
SCHEMBL30824698 0.85 PIK3CD (0.54) PIK3CAPIK3CGRAB9APIK3CDPIK3CB
SCHEMBL973883 0.85 PIK3CD (0.54) PIK3CAPIK3CGRAB9APIK3CDPIK3CB
SCHEMBL2439725 0.81 SMN1; SMN2 (0.52) NPC1RAB9APIK3CDPIK3CBWNT3A
SCHEMBL3095470 0.76 KCNQ2 (0.72) MAPTALDH1A1KCNQ2KCNQ3
SCHEMBL30795276 0.76 WNT3A (0.52) PIK3CAPIK3CGPIK3CDPIK3CBWNT3A
SCHEMBL970919 0.76 WNT3A (0.52) PIK3CAPIK3CGPIK3CDPIK3CBWNT3A
SCHEMBL969480 0.75 AKT1 (0.53) PIK3CAPIK3CGPIK3CDPIK3CBWNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2554162-A1 Use of KCNQ-Openers for Treating or Reducing the Symptoms of Schizophrenia H. Lundbeck A/S (DK) 2013-02-06 EP claimed
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
CN-101790374-A Use of kncq potassium channel openers for reducing symptoms of or treating disorders or conditions wherein the dopaminergic system is disrupted LUNDBECK & CO AS H 2010-07-28 CN 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
CN-101258133-A Pyrimidine derivatives and their use as kcnq potassium channels openers LUNDBECK & CO AS H (DK) 2008-09-03 CN 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
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 PIK3CA 606/4885MTOR 2683/4885PIK3CG 1842/4885
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 PIK3CA 2054/4885MTOR 3279/4885PIK3CG 1166/4885

“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.