SCHEMBL3533212

SCHEMBL3533212

CN1CC(=O)c2ccccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
MAOB P27338 5/20 0.41
ADORA3 P0DMS8 3/20 0.41
AR P10275 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP19A1 P11511 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
SETD7 Q8WTS6 1/20 0.36
HSD11B1 P28845 1/20 0.36
AKR1C3 P42330 1/20 0.36
ATM Q13315 1/20 0.36
CASP3 P42574 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7022739 0.76 ADORA3 (0.41) NOTUMMAOBADORA3ARKDM4E
SCHEMBL9541580 0.75 CYP19A1 (0.34) MAOBCYP19A1PKMTSHRMAPT
SCHEMBL9541569 0.75 CYP19A1 (0.34) MAOBCYP19A1PKMTSHRMAPT
SCHEMBL10680800 0.73 MAOB (0.33) NOTUMMAOBADORA3ARKDM4E
SCHEMBL11221496 0.73 L3MBTL1 (0.38) KDM4EHSD17B10PKMTSHRNPC1
SCHEMBL6448399 0.71 ADRA1D (0.42) NOTUMMAOBADORA3ARKDM4E
SCHEMBL7711314 0.71 TERT (0.40) NOTUMKDM4EHSD17B10ATM
SCHEMBL16012723 0.71 AR (0.46) NOTUMMAOBADORA3ARKDM4E
SCHEMBL5530904 0.70 MAOA (0.41) NOTUMMAOBKDM4ETSHRNPC1
SCHEMBL16012725 0.70 AR (0.44) NOTUMMAOBADORA3ARKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829566-B2 Such as (7-chloro-2-styryl-quinazolin-4-yl)-(3-imidazol-1-yl-propyl)-amine; glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents MEDERSKI WERNER 2010-11-09 US disclosed
US-20070293667-A1 4-Amino-quinazolines MEDERSKI WERNER 2007-12-20 US disclosed
WO-2004030671-A2 USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 US disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 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 (2 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-20040044204-A1 4-amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 NOTUM 4511/4885MAOB 3305/4885ADORA3 62/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 NOTUM 4537/4885MAOB 3567/4885ADORA3 76/4885

“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.