SCHEMBL3974311

SCHEMBL3974311

Clc1ccc2nc(-c3ccc(Br)cc3)nc(CNCc3ccccc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.50
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
ADORA3 P0DMS8 1/20 0.41
CYP1B1 Q16678 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
HTR3A P46098 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
MEN1 O00255 1/20 0.40
GBA1 P04062 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
TYMS P04818 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3973242 0.86 PDE5A (0.50) PDE5AHTTNPC1RAB9ACYP1B1
SCHEMBL3977603 0.83 PDE5A (0.70) PDE5AHTTMAPK1CYP1A2HTR3A
SCHEMBL4238649 0.81 WHR1 (0.50) HTTMAPK1CYP1A2MEN1KMT2A
SCHEMBL3980498 0.77 PDE5A (0.65) PDE5AMAPK1CYP1A2MEN1GBA1
SCHEMBL3974461 0.76 HRH4 (0.45) ADORA3HTR3AHRH4
SCHEMBL3974313 0.76 PDE5A (0.60) PDE5AHTTNPC1MAPK1RAB9A
SCHEMBL3972857 0.74 NPC1 (0.50) PDE5AHTTNPC1MAPK1RAB9A
SCHEMBL3974636 0.74 ADORA3 (0.47) PDE5AHTTNPC1MAPK1RAB9A
SCHEMBL3974309 0.74 NPC1 (0.55) PDE5AHTTNPC1MAPK1RAB9A
SCHEMBL3972782 0.72 PDE5A (0.53) PDE5AHTTNPC1MAPK1RAB9A

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-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024667-A1 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 (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-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 PDE5A 2783/4885HTT 3181/4885NPC1 151/4885

“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.