SCHEMBL3963414

SCHEMBL3963414

Nc1nc2c(c(N3CCCCC3)n1)N[C@@H](c1ccccc1)CN2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 11/20 1.00
NOS3 P29474 5/20 0.79
NPY5R Q15761 1/20 0.42
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA2A P29274 1/20 0.36
CYP1A2 P05177 2/20 0.36
MAPT P10636 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NUDT1 P36639 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL3963410 1.00 NOS1 (1.00) NOS1NOS3NPY5RHRH4HRH3
Hydrochloric Acid SCHEMBL6249018 0.99 NOS1 (0.98) NOS1NOS3NPY5RHRH4HRH3
Hydrochloric Acid SCHEMBL6483053 0.98 NOS1 (0.95) NOS1NOS3NPY5RHRH4HRH3
Hydrochloric Acid SCHEMBL6253716 0.87 NOS1 (0.78) NOS1NOS3HSD17B10ADORA2AMAPT
Hydrochloric Acid SCHEMBL6249898 0.87 NOS1 (0.98) NOS1NOS3NPY5RHRH4LMNA
Hydrochloric Acid SCHEMBL6495633 0.86 NOS1 (0.76) NOS1NOS3LMNAADORA2AMAPT
Hydrochloric Acid SCHEMBL6483905 0.86 NOS1 (0.96) NOS1NOS3HRH4LMNAHSD17B10
Hydrochloric Acid SCHEMBL6486035 0.84 NOS1 (0.96) NOS1NOS3HRH4MAPTL3MBTL1
SCHEMBL4323780 0.79 NOS1 (1.00) NOS1NOS3
SCHEMBL6253300 0.75 NOS1 (0.81) NOS1NOS3HTTMAPTKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541360-B2 4-amino-7,8-dihydropteridines, pharmaceutical compositions containing them and their use for the treatment of diseases which are caused by an increased nitric oxide level VASOPHARM GMBH (DE) 2009-06-02 US disclosed
US-20080027062-A1 4-Amino-7,8-Dihydropteridines, Pharmaceutical Compositions Containing Them and Their Use For The Treatment Of Diseases Which Are Caused By An Increased Nitric Oxide Level VASOPHARM GMBH (DE) 2008-01-31 US disclosed
EP-1699793-A1 4-AMINO-7,8-DIHYDROPTERIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE FOR THE TREATMENT OF DISEASES WHICH ARE CAUSED BY AN INCREASED NITRIC OXIDE LEVEL Vasopharm Biotech GmbH (DE) 2006-09-13 EP disclosed
WO-2005063752-A1 4-AMINO-7,8-DIHYDROPTERIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE FOR THE TREATMENT OF DISEASES WHICH ARE CAUSED BY AN INCREASED NITRIC OXIDE LEVEL VASOPHARM BIOTECH GMBH (DE) 2005-07-14 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-20080027062-A1 4-Amino-7,8-Dihydropteridines, Pharmaceutical Compositions Containing Them and Their Use For The Treatment Of Diseases Which Are Caused By An Increased Nitric Oxide Level QDPR, PTGIS, NOS2 NOS1 5/4885NOS3 6/4885NPY5R 433/4885

“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.