SCHEMBL3974313

SCHEMBL3974313

CN(Cc1ccccc1)c1nc(-c2ccc(Br)cc2)nc2ccc(Cl)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.56
PIK3CD O00329 1/20 0.56
LMNA P02545 1/20 0.56
PIK3R1 P27986 1/20 0.56
HIF1A Q16665 1/20 0.56
MAPT P10636 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAT2A P31153 1/20 0.52
ALDH1A1 P00352 2/20 0.47
GBA1 P04062 5/20 0.47
PDE6A P16499 1/20 0.44
PDE4A P27815 1/20 0.44
HTR7 P34969 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44

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
SCHEMBL3973245 0.87 PDE5A (0.62) PDE5ASMN1; SMN2HTTPIK3CDLMNA
SCHEMBL4084599 0.83 PDE5A (0.82) PDE5ASMN1; SMN2LMNAHIF1AMAPT
SCHEMBL4238650 0.82 PDE5A (0.58) PDE5ASMN1; SMN2HTTPIK3CDLMNA
SCHEMBL3972075 0.82 ADORA3 (0.52) PDE5ASMN1; SMN2HTTLMNAMAPT
SCHEMBL3975155 0.82 POLB (0.46) HTTCYP1A2POLBNPC1MAPK1
SCHEMBL1085047 0.76 PDE5A (1.00) PDE5ASMN1; SMN2LMNAHIF1AMAPT
SCHEMBL3974463 0.76 HTR3A (0.48) SMN1; SMN2HTTLMNAMAPTPOLB
SCHEMBL3974311 0.76 PDE5A (0.50) PDE5ASMN1; SMN2HTTLMNAMAPT
SCHEMBL4095681 0.75 PDE5A (0.72) PDE5ASMN1; SMN2LMNAHIF1AMAPT
SCHEMBL3977603 0.75 PDE5A (0.70) PDE5ASMN1; SMN2HTTLMNAHIF1A

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-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
CN-1474815-A 4-amino-quinazolines Ĭ��ר���ɷ����޹�˾ 2004-02-11 CN 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 2783/4885SMN1; SMN2 4194/4885HTT 3181/4885

“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.