SCHEMBL4913809

SCHEMBL4913809

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
CYP1A2 P05177 5/20 0.50
CYP3A4 P08684 4/20 0.50
TSHR P16473 4/20 0.50
CLK4 Q9HAZ1 3/20 0.50
MAPK1 P28482 3/20 0.50
CYP2D6 P10635 3/20 0.50
GBA1 P04062 1/20 0.49
ALOX15 P16050 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
KCNN2 Q9H2S1 1/20 0.46
KCNN3 Q9UGI6 1/20 0.46
ACP1 P24666 1/20 0.46
USP2 O75604 2/20 0.45
POLB P06746 1/20 0.45
PTPN7 P35236 1/20 0.45
CREBBP Q92793 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
SCHEMBL4910336 0.95 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP3A4TSHRCLK4
SCHEMBL4911365 0.91 KCNN2 (0.57) ALDH1A1CYP3A4TSHRMAPK1CYP2D6
SCHEMBL4908801 0.90 KCNN2 (0.59) ALDH1A1MAPK1GBA1SMN1; SMN2LMNA
SCHEMBL4912379 0.90 KCNN2 (0.59) ALDH1A1MAPK1GBA1SMN1; SMN2LMNA
SCHEMBL4913903 0.90 KCNN2 (0.59) ALDH1A1MAPK1GBA1SMN1; SMN2LMNA
SCHEMBL4913314 0.88 MAPK1 (0.45) ALDH1A1CYP1A2CYP3A4TSHRCLK4
SCHEMBL4913744 0.88 KDM4E (0.48) ALDH1A1CYP1A2CYP3A4TSHRCLK4
SCHEMBL4911767 0.88 CYP1A2 (0.55) ALDH1A1CYP1A2CYP3A4TSHRCLK4
SCHEMBL4913876 0.85 GBA1 (0.55) ALDH1A1CYP3A4MAPK1GBA1ALOX15
SCHEMBL4912585 0.81 WHR1 (0.47) ALDH1A1CYP1A2CYP3A4TSHRCLK4

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 ALDH1A1 3145/4885CYP1A2 3153/4885CYP3A4 3366/4885

“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.