SCHEMBL4914836

SCHEMBL4914836

Cc1cc(C)n(-c2nc(Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.69
MAPT P10636 1/20 0.69
ABCG2 Q9UNQ0 7/20 0.59
EGFR P00533 1/20 0.54
HTT P42858 2/20 0.53
TSHR P16473 1/20 0.53
NPY1R P25929 1/20 0.49
NPY5R Q15761 1/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
ALOX15 P16050 1/20 0.49
PTPN7 P35236 1/20 0.49
CREBBP Q92793 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ADORA2A P29274 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
IDH2 P48735 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46

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) TP53MAPTABCG2EGFRHTT
SCHEMBL4912941 0.89 ABCG2 (0.56) TP53MAPTABCG2EGFRHTT
SCHEMBL4908142 0.86 TDP1 (0.64) TP53MAPTHTTTSHRNPY5R
SCHEMBL4911556 0.85 POLB (0.61) TP53MAPTABCG2EGFRHTT
SCHEMBL4914853 0.84 PDE5A (0.57) TP53MAPTABCG2EGFRHTT
SCHEMBL30425308 0.82 TP53 (0.59) TP53MAPTEGFRHTTUSP2
SCHEMBL30426454 0.82 TP53 (0.57) TP53MAPTABCG2HTTUSP2
SCHEMBL4914616 0.82 MAPT (0.68) MAPTABCG2EGFRHTTTSHR
SCHEMBL4910531 0.81 TDP1 (0.51) MAPTTSHRUSP2POLBALOX15
SCHEMBL4907560 0.81 KDM4E (0.64) TP53MAPTABCG2HTTNPY5R

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 TP53 2358/4885MAPT 981/4885ABCG2 3090/4885

“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.