SCHEMBL3978895

SCHEMBL3978895

Clc1ccc2c(NCCCn3ccnc3)nc(-c3ccccc3)nc2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.79
GSK3B P49841 2/20 0.79
SMN1; SMN2 Q16637 2/20 0.69
ALDH1A1 P00352 1/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
SOD1 P00441 3/20 0.54
QPCT Q16769 1/20 0.52
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NAMPT P43490 3/20 0.50
SLC2A1 P11166 1/20 0.49
ACP1 P24666 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL3976448 0.98 GSK3A (0.76) GSK3AGSK3BSMN1; SMN2ALDH1A1MEN1
SCHEMBL3538009 0.83 ALDH1A1 (0.55) GSK3AGSK3BSMN1; SMN2ALDH1A1SOD1
SCHEMBL3538008 0.83 ALDH1A1 (0.55) GSK3AGSK3BSMN1; SMN2ALDH1A1SOD1
SCHEMBL7268529 0.81 GSK3A (0.59) GSK3AGSK3BSMN1; SMN2ALDH1A1MEN1
SCHEMBL8355325 0.81 GSK3A (0.73) GSK3AGSK3BSMN1; SMN2ALDH1A1MEN1
SCHEMBL8354990 0.80 GSK3A (0.57) GSK3AGSK3BSMN1; SMN2ALDH1A1MEN1
SCHEMBL4085125 0.80 GSK3A (0.75) GSK3AGSK3BSMN1; SMN2ALDH1A1MEN1
SCHEMBL3981553 0.78 MAPK1 (0.81) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL3627889 0.78 KDM4E (0.57) GSK3AGSK3BSMN1; SMN2ALDH1A1MEN1
SCHEMBL3974887 0.77 MAPK1 (0.82) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT

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 GSK3A 1313/4885GSK3B 1625/4885SMN1; SMN2 4194/4885

“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.