SCHEMBL4913744

SCHEMBL4913744

Cc1cc(C)n(-c2nc(NC3CCOCC3)c3ccccc3n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
KCNN2 Q9H2S1 1/20 0.46
KCNN3 Q9UGI6 1/20 0.46
EGLN1 Q9GZT9 2/20 0.45
ALDH1A1 P00352 4/20 0.45
ALOX15 P16050 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
PTPN7 P35236 1/20 0.44
CREBBP Q92793 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CCR4 P51679 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAOB P27338 2/20 0.44
HTR6 P50406 2/20 0.44

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
SCHEMBL4910336 0.92 ALDH1A1 (0.51) KDM4EKCNN2KCNN3ALDH1A1ALOX15
SCHEMBL4911365 0.90 KCNN2 (0.57) KDM4EKCNN2KCNN3ALDH1A1ALOX15
SCHEMBL4908801 0.89 KCNN2 (0.59) KDM4EKCNN2KCNN3ALDH1A1CCR4
SCHEMBL4913903 0.89 KCNN2 (0.59) KDM4EKCNN2KCNN3ALDH1A1CCR4
SCHEMBL4912379 0.89 KCNN2 (0.59) KDM4EKCNN2KCNN3ALDH1A1CCR4
SCHEMBL4913809 0.88 ALDH1A1 (0.51) KCNN2KCNN3ALDH1A1ALOX15USP2
SCHEMBL4911767 0.87 CYP1A2 (0.55) KDM4EKCNN2KCNN3ALDH1A1ALOX15
SCHEMBL4913314 0.85 MAPK1 (0.45) KCNN2KCNN3ALDH1A1ALOX15USP2
SCHEMBL4913876 0.84 GBA1 (0.55) KCNN2KCNN3ALDH1A1ALOX15USP2
SCHEMBL4911120 0.78 MAPT (0.62) KDM4EALOX15CYP1A2CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861388-B1 POTASSIUM CHANNEL MODULATING AGENTS AND THEIR MEDICAL USE SANIONA AS (DK) 2017-07-05 EP claimed
US-8252806-B2 2-(3,5-Dimethyl-pyrazol-1-yl)-quinazolin-4-yl]-propylamine; 2-(3,5-Dimethyl-pyrazol-1-yl)-quinazolin-4-yl]-(4-morpholin-4-yl-phenyl)-amine; respiratory diseases, epilepsy, convulsions, seizures, gastrointestinal dysfunction, ischaemia, psychosis, schizophrenia, anxiety, depression, Alzheimer's disease NEUROSEARCH A/S (DK) 2012-08-28 US claimed
US-20080275045-A1 Potassium Channel Modulating Agents and Their Medical Use NEUROSEARCH A/S (DK) 2008-11-06 US claimed
EP-1861388-A1 POTASSIUM CHANNEL MODULATING AGENTS AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2007-12-05 EP claimed
WO-2006097441-A1 POTASSIUM CHANNEL MODULATING AGENTS AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-09-21 WO claimed
EP-1861388-B1 POTASSIUM CHANNEL MODULATING AGENTS AND THEIR MEDICAL USE SANIONA AS (DK) 2017-07-05 EP disclosed
US-8252806-B2 2-(3,5-Dimethyl-pyrazol-1-yl)-quinazolin-4-yl]-propylamine; 2-(3,5-Dimethyl-pyrazol-1-yl)-quinazolin-4-yl]-(4-morpholin-4-yl-phenyl)-amine; respiratory diseases, epilepsy, convulsions, seizures, gastrointestinal dysfunction, ischaemia, psychosis, schizophrenia, anxiety, depression, Alzheimer's disease NEUROSEARCH A/S (DK) 2012-08-28 US disclosed
US-20080275045-A1 Potassium Channel Modulating Agents and Their Medical Use NEUROSEARCH A/S (DK) 2008-11-06 US disclosed
EP-1861388-A1 POTASSIUM CHANNEL MODULATING AGENTS AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2007-12-05 EP disclosed
WO-2006097441-A1 POTASSIUM CHANNEL MODULATING AGENTS AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-09-21 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 (1 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-20080275045-A1 Potassium Channel Modulating Agents and Their Medical Use KCND2, KCNN3, KCNJ2 KDM4E 2197/4885KCNN2 4/4885KCNN3 2/4885

“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.