SCHEMBL4908142

SCHEMBL4908142

Cc1cc(C)n(-c2nc(Nc3ccccc3)c3ccccc3n2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.64
POLB P06746 3/20 0.64
USP2 O75604 1/20 0.64
ALOX15 P16050 1/20 0.64
PTPN7 P35236 1/20 0.64
CREBBP Q92793 1/20 0.64
HRH4 Q9H3N8 1/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 3/20 0.54
LMNA P02545 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 8/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPY5R Q15761 2/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL4907560 0.94 KDM4E (0.64) TDP1POLBUSP2ALOX15PTPN7
SCHEMBL4914786 0.92 TDP1 (0.55) TDP1POLBUSP2ALOX15PTPN7
SCHEMBL4911556 0.91 POLB (0.61) TDP1POLBUSP2ALOX15PTPN7
SCHEMBL4913824 0.91 BCL6 (0.62) TDP1POLBUSP2ALOX15PTPN7
SCHEMBL4908031 0.91 HTR2A (0.57) TDP1POLBUSP2ALOX15PTPN7
SCHEMBL4908834 0.91 TDP1 (0.54) TDP1POLBUSP2ALOX15PTPN7
SCHEMBL4914853 0.89 PDE5A (0.57) TDP1POLBUSP2ALOX15PTPN7
SCHEMBL4910531 0.89 TDP1 (0.51) TDP1POLBUSP2ALOX15PTPN7
SCHEMBL4912941 0.88 ABCG2 (0.56) TDP1POLBUSP2ALOX15PTPN7
SCHEMBL4914616 0.87 MAPT (0.68) TDP1POLBALDH1A1KDM4ELMNA

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 12 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
CN-101115736-A Potassium channel modulating agents and their medical use NEUROSEARCH AS (DK) 2008-01-30 CN 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
CN-101115736-A Potassium channel modulating agents and their medical use NEUROSEARCH AS (DK) 2008-01-30 CN 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 TDP1 245/4885POLB 939/4885USP2 4394/4885

“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.