SCHEMBL2826069

SCHEMBL2826069

COc1cc(Cl)c(C)c(Br)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GAA P10253 3/20 0.42
NPC1 O15118 2/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR5A P47898 1/20 0.41
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL30735529 0.78 GAA (0.47) MAPTNPSR1GAANPC1HTR1A
SCHEMBL27801325 0.76 MAPT (0.48) MAPTNPSR1GAANPC1POLB
SCHEMBL31506852 0.76 MAPT (0.48) MAPTNPSR1GAANPC1POLB
SCHEMBL24373066 0.75 CD44 (0.39) MAPTGAANPC1POLBALDH1A1
SCHEMBL31503772 0.74 MAPT (0.47) MAPTNPSR1GAANPC1HTR1A
SCHEMBL18935874 0.74 MAPT (0.68) MAPTNPSR1GAANPC1HTR2C
SCHEMBL26091619 0.73 NPC1 (0.42) MAPTNPSR1GAANPC1HTR1A
SCHEMBL26607051 0.73 NPSR1 (0.36) MAPTNPSR1GAANPC1HTR1A
Hydrochloric Acid SCHEMBL6475701 0.73 ATP4A (0.44) MAPTNPSR1GAANPC1HTR1A
SCHEMBL21195972 0.72 CA1 (0.36) MAPTGAAALDH1A1CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790733-B2 8-alkoxy or cycloalkoxy-4-methyl-3,4-dihydro-quinazolin-2-ylamines HOFFMAN-LA ROCHE INC. (US) 2010-09-07 US disclosed
EP-1899307-B1 8-ALK0XY-4-METHYL-3, 4-DIHYDR0-QUINAZ0LIN-2-YL AMINES AND THEIR USE AS 5-HT5A RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
EP-1899307-A1 8-ALK0XY-4-METHYL-3, 4-DIHYDR0-QUINAZ0LIN-2-YL AMINES AND THEIR USE AS 5-HT5A RECEPTOR LIGANDS F. Hoffmann-Roche AG (CH) 2008-03-19 EP disclosed
WO-2007000393-A1 8-ALK0XY-4-METHYL-3 , 4-DIHYDR0-QUINAZ0LIN-2-YL AMINES AND THEIR USE AS 5-HT5A RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-04 WO disclosed
US-20060293350-A1 8-Alkoxy or cycloalkoxy-4-methyl-3,4-dihydro-quinazolin-2-ylamines F. HOFFMANN-LA ROCHE AG A SWISS COMPANY (CH) 2006-12-28 US 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-20060293350-A1 8-Alkoxy or cycloalkoxy-4-methyl-3,4-dihydro-quinazolin-2-ylamines HTR5A, HTR2C, HTR3A MAPT 958/4885NPSR1 48/4885GAA 514/4885

“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.