SCHEMBL3975341

SCHEMBL3975341

CN1CCCC1CCNc1nc(-c2ccc(Br)cc2)nc2ccc(Cl)cc12

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.61
ACP1 P24666 2/20 0.52
HTR3A P46098 4/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
HRH4 Q9H3N8 8/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3973138 0.89 CAMK2D (0.49) CAMK2DACP1MEN1KMT2AMAPT
SCHEMBL3975061 0.84 TLR9 (0.52) CAMK2DACP1MAPT
SCHEMBL3976155 0.82 KDM4E (0.52) CAMK2DHTR3AMEN1KMT2AMAPT
SCHEMBL3973406 0.80 HTR3A (0.49) CAMK2DACP1HTR3AMEN1KMT2A
SCHEMBL3975320 0.80 SLC2A1 (0.49) ACP1HTR3AMEN1KMT2AMAPT
SCHEMBL3980578 0.78 MAPK1 (0.58) ACP1HTR3AMEN1KMT2AMAPT
SCHEMBL3974635 0.77 ACP1 (0.58) ACP1MEN1KMT2AMAPTMAPK1
SCHEMBL3977122 0.77 HTR3A (0.58) HTR3AMEN1KMT2AMAPTMAPK1
SCHEMBL3981563 0.77 HMOX1 (0.42) CAMK2DACP1HTR3AMEN1KMT2A
SCHEMBL3971156 0.76 POLB (0.60) ACP1MAPK1POLB

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 CAMK2D 2629/4885ACP1 4097/4885HTR3A 640/4885

“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.