SCHEMBL3974887

SCHEMBL3974887

Clc1ccc2c(NCCCN3CCOCC3)nc(-c3ccc(-c4ccccc4)cc3)nc2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.82
MAPT P10636 4/20 0.82
NPSR1 Q6W5P4 1/20 0.82
SMN1; SMN2 Q16637 2/20 0.78
TSHR P16473 5/20 0.76
ALOX15 P16050 4/20 0.76
TP53 P04637 2/20 0.76
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
ACP1 P24666 3/20 0.68
LMNA P02545 3/20 0.68
ALDH1A1 P00352 4/20 0.66
KDM4E B2RXH2 1/20 0.66
POLB P06746 1/20 0.66
HTT P42858 1/20 0.66
USP2 O75604 5/20 0.61
HSD17B10 Q99714 4/20 0.61
CYP1A2 P05177 6/20 0.58
CYP3A4 P08684 6/20 0.58
CYP2D6 P10635 6/20 0.58

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
SCHEMBL3981553 0.98 MAPK1 (0.81) MAPK1MAPTNPSR1SMN1; SMN2TSHR
SCHEMBL3974486 0.85 MAPT (0.74) MAPK1MAPTNPSR1SMN1; SMN2TSHR
SCHEMBL3972057 0.84 MAPK1 (0.71) MAPK1MAPTNPSR1SMN1; SMN2TSHR
SCHEMBL3975881 0.83 MAPK1 (0.67) MAPK1MAPTNPSR1SMN1; SMN2TSHR
SCHEMBL3981971 0.82 MAPK1 (0.63) MAPK1MAPTNPSR1SMN1; SMN2TSHR
SCHEMBL3535873 0.82 FLT3 (0.74) MAPK1MAPTNPSR1SMN1; SMN2TSHR
SCHEMBL3535877 0.82 FLT3 (0.74) MAPK1MAPTNPSR1SMN1; SMN2TSHR
SCHEMBL3972633 0.81 TLR9 (0.65) MAPK1MAPTNPSR1SMN1; SMN2TSHR
SCHEMBL3973044 0.80 ADORA1 (0.56) MAPK1MAPTNPSR1SMN1; SMN2TSHR
SCHEMBL1085597 0.80 ACP1 (0.87) MAPK1MAPTNPSR1SMN1; SMN2TSHR

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 MAPK1 3502/4885MAPT 4410/4885NPSR1 135/4885

“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.