SCHEMBL3973866

SCHEMBL3973866

[CH2]C(N)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
MAPT P10636 5/20 0.42
SLC2A1 P11166 1/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
ALOX12 P18054 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
AGTR1 P30556 1/20 0.41
HPGD P15428 2/20 0.40
HSPB1 P04792 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CXCR5 P32302 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
Ammonia Solution, Strong SCHEMBL7429890 0.81 ADRA2A (0.45) ADRA2AADRA2BADRA2CMAPTSLC2A1
SCHEMBL1581001 0.79 ADRA2A (0.44) ADRA2AADRA2BADRA2CMAPTSLC2A1
Hydrochloric Acid SCHEMBL7848303 0.78 ADRA2A (0.45) ADRA2AADRA2BADRA2CMAPTSLC2A1
SCHEMBL7100559 0.78 ADRA2A (0.43) ADRA2AADRA2BADRA2CMAPTSLC2A1
SCHEMBL11815139 0.78 HSPB1 (0.45) ADRA2AADRA2BADRA2CMAPTSLC2A1
SCHEMBL21962089 0.78 KMT2A (0.45) ADRA2AADRA2BADRA2CMAPTSLC2A1
SCHEMBL397421 0.78 MAPT (0.49) ADRA2AADRA2BADRA2CMAPTSLC2A1
SCHEMBL27575647 0.77 KMT2A (0.48) ADRA2AADRA2BADRA2CMAPTLMNA
SCHEMBL19089741 0.75 CYP1A2 (0.49) ADRA2AADRA2BADRA2CMAPTSLC2A1
SCHEMBL28062195 0.75 GAA (0.45) ADRA2AADRA2BADRA2CMAPTSLC2A1

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 ADRA2A 77/4885ADRA2B 176/4885ADRA2C 202/4885

“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.