SCHEMBL4914616

SCHEMBL4914616

COc1cccc(Nc2nc(-n3nc(C)cc3C)nc3ccccc23)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 2/20 0.68
HPGD P15428 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
ABCG2 Q9UNQ0 10/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
ABCB1 P08183 5/20 0.59
PDE5A O76074 1/20 0.59
TDP1 Q9NUW8 2/20 0.58
HTT P42858 3/20 0.57
TSHR P16473 1/20 0.57
RXFP1 Q9HBX9 1/20 0.55
DYRK3 O43781 1/20 0.55
MAP4K4 O95819 1/20 0.55
EGFR P00533 1/20 0.55
PDGFRA P16234 1/20 0.55
LTK P29376 1/20 0.55
GRK5 P34947 1/20 0.55

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
SCHEMBL4908142 0.87 TDP1 (0.64) MAPTKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL4911556 0.86 POLB (0.61) MAPTKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL4914853 0.84 PDE5A (0.57) MAPTKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL4910531 0.84 TDP1 (0.51) MAPTKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL4914836 0.82 TP53 (0.69) MAPTABCG2KMT2ATDP1HTT
SCHEMBL4907560 0.82 KDM4E (0.64) MAPTKDM4EALDH1A1ABCG2MEN1
SCHEMBL4914786 0.81 TDP1 (0.55) MAPTKDM4EALDH1A1ABCG2MEN1
SCHEMBL4904189 0.80 NPY5R (0.57) MAPTKDM4EALDH1A1ABCG2MEN1
SCHEMBL4908031 0.80 HTR2A (0.57) MAPTKDM4EALDH1A1ABCG2MEN1
SCHEMBL4913824 0.80 BCL6 (0.62) MAPTKDM4EALDH1A1HPGDABCG2

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 MAPT 981/4885KDM4E 2197/4885ALDH1A1 3145/4885

“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.