SCHEMBL2829390

SCHEMBL2829390

COc1cccc2c1NC(=S)NC2C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.54
HTR5A P47898 6/20 0.54
HTR1A P08908 5/20 0.54
HTR1D P28221 5/20 0.54
HTR7 P34969 5/20 0.54
GAA P10253 3/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DHFR P00374 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HTT P42858 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL18574032 0.74 HTR5A (0.40) HTR2CHTR5AHTR1AHTR1DHTR7
SCHEMBL5696196 0.74 DHFR (0.51) HTR2CHTR5AHTR1AHTR1DHTR7
SCHEMBL30528605 0.68 HTR5A (0.58) HTR5ACREBBP
SCHEMBL2832579 0.68 HTR5A (0.58) HTR5ACREBBP
SCHEMBL14765174 0.65 CREBBP (0.54) HTR2CHTR5AHTR1AHTR1DHTR7
SCHEMBL14765075 0.65 CREBBP (0.54) HTR2CHTR5AHTR1AHTR1DHTR7
SCHEMBL2827127 0.64 HTR1A (0.54) HTR2CHTR5AHTR1AHTR1DHTR7
SCHEMBL10716481 0.64 HTR2C (0.46) HTR2CHTR5AHTR1AHTR1DHTR7
SCHEMBL1382388 0.64 HTR2C (0.49) HTR2CHTR5AHTR1AHTR1DHTR7
SCHEMBL1321330 0.64 HTR2C (0.46) HTR2CHTR5AHTR1AHTR1DHTR7

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 HTR2C 2/4885HTR5A 1/4885HTR1A 7/4885

“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.