SCHEMBL3094653

SCHEMBL3094653

Cc1nc(N2CCOCC2)nc(C)c1N

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
HPGD P15428 2/20 0.56
PIK3R1 P27986 5/20 0.53
PIK3CA P42336 5/20 0.53
MTOR P42345 5/20 0.53
KMT2A Q03164 1/20 0.51
GAA P10253 2/20 0.50
HTT P42858 1/20 0.49
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NUDT1 P36639 1/20 0.46
GLA P06280 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
HRH4 Q9H3N8 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
SCHEMBL26337500 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDPIK3R1PIK3CA
SCHEMBL15207184 0.80 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDPIK3R1PIK3CA
SCHEMBL1707833 0.80 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDPIK3R1PIK3CA
SCHEMBL8607492 0.79 KDM4E (0.57) ALDH1A1KDM4EHPGDPIK3R1PIK3CA
SCHEMBL8973821 0.78 HTT (0.63) ALDH1A1KDM4EHPGDPIK3R1PIK3CA
SCHEMBL26037956 0.78 HRH4 (0.61) KMT2AHRH4
SCHEMBL19105591 0.77 KMT2A (0.53) ALDH1A1KDM4EHPGDPIK3R1PIK3CA
SCHEMBL17309194 0.77 HRH4 (0.66) ALDH1A1KDM4EHPGDPIK3R1PIK3CA
SCHEMBL12110268 0.77 KMT2A (0.56) ALDH1A1KDM4EHPGDPIK3CAKMT2A
SCHEMBL1443593 0.77 PIK3CA (0.61) ALDH1A1KDM4EHPGDPIK3R1PIK3CA

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
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
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
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
CN-101378742-B Use of KCNQ-openers for the preparation of a pharmaceutical composition for the treatment of schizophrenia LUNDBECK & CO AS H 2013-07-10 CN 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
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 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-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 ALDH1A1 641/4885KDM4E 3998/4885HPGD 767/4885
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 ALDH1A1 1575/4885KDM4E 950/4885HPGD 1421/4885

“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.