SCHEMBL3974461

SCHEMBL3974461

CN1CCC(CNCc2nc(-c3ccc(Br)cc3)nc3ccc(Cl)cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 13/20 0.45
HTR3A P46098 9/20 0.45
HDAC3 O15379 1/20 0.41
MTOR P42345 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
MELK Q14680 1/20 0.37
TP53 P04637 1/20 0.37
HRH1 P35367 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
SCHEMBL3979613 0.89 POLB (0.40) HRH4MELKTP53
SCHEMBL3980769 0.84 NSD2 (0.49) ADORA3HRH1
SCHEMBL3974463 0.80 HTR3A (0.48) HRH4HTR3AHDAC3MTORHDAC1
SCHEMBL3974311 0.76 PDE5A (0.50) HRH4HTR3AADORA3
SCHEMBL3977122 0.72 HTR3A (0.58) HRH4HTR3A
SCHEMBL3980578 0.71 MAPK1 (0.58) HRH4HTR3ATP53
SCHEMBL27599043 0.69 NPC1 (0.45) HRH4HTR3AHDAC3MTORHDAC1
SCHEMBL3975341 0.69 CAMK2D (0.61) HRH4HTR3AHRH1
SCHEMBL3980780 0.69 TP53 (0.55) TP53
SCHEMBL3979617 0.69 POLB (0.50) HRH4HTR3ATP53

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 HRH4 1746/4885HTR3A 640/4885HDAC3 1982/4885

“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.