SCHEMBL3974636

SCHEMBL3974636

NCCCCc1nc(-c2ccc(Br)cc2)nc2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.47
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CYP1B1 Q16678 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1A1 P04798 1/20 0.39
PDE5A O76074 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
AKR1B10 O60218 1/20 0.35
CHEK1 O14757 2/20 0.35
CYP2D6 P10635 1/20 0.34
HSP90AB1 P08238 1/20 0.34
DHODH Q02127 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
SCHEMBL3975236 0.85 CYP1B1 (0.39) ADORA3NPC1RAB9ACYP1B1CYP1A2
SCHEMBL3974657 0.79 SLC2A1 (0.50) HTTNPSR1
SCHEMBL3972857 0.76 NPC1 (0.50) ADORA3NPC1RAB9AMAPK1HTT
SCHEMBL3974311 0.74 PDE5A (0.50) ADORA3NPC1RAB9AMAPK1HTT
SCHEMBL3972075 0.71 ADORA3 (0.52) ADORA3NPC1RAB9AMAPK1HTT
SCHEMBL3975155 0.71 POLB (0.46) ADORA3NPC1RAB9AMAPK1HTT
SCHEMBL3974635 0.70 ACP1 (0.58) ADORA3MAPK1PDE5AMEN1KMT2A
SCHEMBL3972071 0.70 ADORA3 (0.51) ADORA3NPC1RAB9AMAPK1HTT
SCHEMBL3977603 0.68 PDE5A (0.70) MAPK1HTTCYP1A2PDE5AMEN1
SCHEMBL3974313 0.68 PDE5A (0.60) ADORA3NPC1RAB9AMAPK1HTT

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 ADORA3 448/4885NPC1 151/4885RAB9A 2468/4885

“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.