SCHEMBL4913314

SCHEMBL4913314

Cc1cc(C)n(-c2nc(NC3CCC(C(C)(C)C)CC3)c3ccccc3n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 3/20 0.45
CLK4 Q9HAZ1 3/20 0.45
CYP2D6 P10635 2/20 0.45
TLR7 Q9NYK1 2/20 0.45
KCNN2 Q9H2S1 1/20 0.44
KCNN3 Q9UGI6 1/20 0.44
ACP1 P24666 1/20 0.44
ALOX15 P16050 3/20 0.43
USP2 O75604 2/20 0.43
POLB P06746 1/20 0.43
PTPN7 P35236 1/20 0.43
CREBBP Q92793 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CCR4 P51679 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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) MAPK1ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL4913809 0.88 ALDH1A1 (0.51) MAPK1ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL4911365 0.88 KCNN2 (0.57) MAPK1ALDH1A1CYP3A4TSHRCYP2D6
SCHEMBL4908801 0.87 KCNN2 (0.59) MAPK1ALDH1A1TLR7KCNN2KCNN3
SCHEMBL4913903 0.87 KCNN2 (0.59) MAPK1ALDH1A1TLR7KCNN2KCNN3
SCHEMBL4912379 0.87 KCNN2 (0.59) MAPK1ALDH1A1TLR7KCNN2KCNN3
SCHEMBL4913744 0.85 KDM4E (0.48) MAPK1ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL4911767 0.85 CYP1A2 (0.55) MAPK1ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL4913876 0.83 GBA1 (0.55) MAPK1ALDH1A1CYP3A4KCNN2KCNN3
SCHEMBL4908142 0.76 TDP1 (0.64) MAPK1ALDH1A1TSHRALOX15USP2

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 MAPK1 2608/4885ALDH1A1 3145/4885CYP1A2 3153/4885

“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.