SCHEMBL3974310

SCHEMBL3974310

Cc1ccc2nc(-c3ccc(Br)cc3)nc(NCC3CCCCC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.51
HTR3A P46098 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
EGLN1 Q9GZT9 2/20 0.45
APP P05067 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE5A O76074 5/20 0.43
TRIM58 Q8NG06 3/20 0.43
SYK P43405 2/20 0.42
ADORA3 P0DMS8 1/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
KCNH2 Q12809 1/20 0.41
AURKB Q96GD4 1/20 0.41
POLB P06746 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
SCHEMBL3977122 0.87 HTR3A (0.58) GBA1HTR3AHRH4EGLN1APP
SCHEMBL3976895 0.83 NSD2 (0.49) GBA1MEN1KMT2ASYK
SCHEMBL3971152 0.81 KDM4E (0.45) PDE5APOLB
SCHEMBL3973138 0.77 CAMK2D (0.49) MEN1KMT2APDE5APOLBRAD52
SCHEMBL3981851 0.77 PDE5A (0.70) GBA1MEN1KMT2APDE5ACLK4
SCHEMBL3975234 0.77 ACP1 (0.60) GBA1MEN1KMT2APDE5APOLB
SCHEMBL3975321 0.76 SLC2A1 (0.49) MEN1KMT2APOLBRAD52
SCHEMBL13252154 0.76 GBA1 (0.80) GBA1APPMEN1KMT2APDE5A
SCHEMBL3973275 0.76 RAD52 (0.69) KMT2APDE5APOLBRAD52SMARCA2
SCHEMBL3974312 0.74 POLB (0.53) GBA1MEN1KMT2APOLB

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 3 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

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 GBA1 52/4885HTR3A 640/4885HRH4 1746/4885

“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.