SCHEMBL4912941

SCHEMBL4912941

Cc1cc(C)n(-c2nc(Nc3ccc(C(F)(F)F)cc3)c3ccccc3n2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.56
MAPT P10636 5/20 0.53
TP53 P04637 2/20 0.53
TDP1 Q9NUW8 4/20 0.51
POLB P06746 2/20 0.51
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
PTPN7 P35236 1/20 0.51
CREBBP Q92793 1/20 0.51
KDM1A O60341 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
RAB9A P51151 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
NTSR1 P30989 1/20 0.47

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
SCHEMBL4913724 0.91 MAPT (0.56) ABCG2MAPTTP53TDP1POLB
SCHEMBL4914836 0.89 TP53 (0.69) ABCG2MAPTTP53TDP1POLB
SCHEMBL4908142 0.88 TDP1 (0.64) MAPTTP53TDP1POLBUSP2
SCHEMBL4907560 0.87 KDM4E (0.64) ABCG2MAPTTP53TDP1POLB
SCHEMBL4914786 0.86 TDP1 (0.55) ABCG2MAPTTP53TDP1POLB
SCHEMBL4913824 0.85 BCL6 (0.62) ABCG2MAPTTP53TDP1POLB
SCHEMBL4908834 0.85 TDP1 (0.54) ABCG2MAPTTP53TDP1POLB
SCHEMBL4908031 0.85 HTR2A (0.57) ABCG2MAPTTP53TDP1POLB
SCHEMBL4910531 0.83 TDP1 (0.51) MAPTTDP1POLBUSP2ALOX15
SCHEMBL4904189 0.81 NPY5R (0.57) ABCG2MAPTTP53TDP1POLB

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
CN-101115736-A Potassium channel modulating agents and their medical use NEUROSEARCH AS (DK) 2008-01-30 CN 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 ABCG2 3090/4885MAPT 981/4885TP53 2358/4885

“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.