SCHEMBL3974937

SCHEMBL3974937

O=C1CCCN1CCCNc1nc(-c2ccc(Br)cc2)nc2ccc(Cl)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.53
MAPK1 P28482 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 2/20 0.53
POLB P06746 2/20 0.53
GFER P55789 1/20 0.53
ADORA1 P30542 1/20 0.51
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 8/20 0.45
TDP1 Q9NUW8 1/20 0.45
PGK1 P00558 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.44
ACP1 P24666 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL3975873 0.89 ADORA1 (0.55) KDM4EMAPTMAPK1ALDH1A1HSD17B10
SCHEMBL3973044 0.86 ADORA1 (0.56) KDM4EMAPTMAPK1ALDH1A1HSD17B10
SCHEMBL3980055 0.84 PGK1 (0.62) KDM4EMAPTALDH1A1POLBADORA1
SCHEMBL7262661 0.83 PGK1 (0.61) KDM4EMAPTMAPK1ALDH1A1HSD17B10
SCHEMBL3980578 0.81 MAPK1 (0.58) MAPTMAPK1NPSR1SMN1; SMN2KMT2A
SCHEMBL3974486 0.80 MAPT (0.74) KDM4EMAPTMAPK1ALDH1A1HSD17B10
SCHEMBL3975320 0.78 SLC2A1 (0.49) KDM4EMAPTMAPK1ALDH1A1HSD17B10
SCHEMBL3974635 0.78 ACP1 (0.58) MAPTMAPK1POLBNPSR1SMN1; SMN2
SCHEMBL3975341 0.76 CAMK2D (0.61) MAPTMAPK1POLBNPSR1LMNA
SCHEMBL3974901 0.73 SLC2A1 (0.72) POLBKMT2AMEN1

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 KDM4E 4808/4885MAPT 4410/4885MAPK1 3502/4885

“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.