SCHEMBL4856782

SCHEMBL4856782

c1ccc(CCNc2nc(C3CCCCC3)nc3ccccc23)cc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.77
APP P05067 9/20 0.60
ACHE P22303 8/20 0.60
BCHE P06276 6/20 0.60
OGG1 O15527 1/20 0.59
MAPK1 P28482 2/20 0.52
EGFR P00533 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 1/20 0.52
JAK2 O60674 1/20 0.51
METAP1 P53582 1/20 0.51
PPP1CA P62136 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HRH4 Q9H3N8 1/20 0.51
GBA1 P04062 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
SCHEMBL4864327 0.91 PDE5A (0.72) PDE5AAPPACHEBCHEOGG1
SCHEMBL4864401 0.89 PDE5A (0.65) PDE5AAPPACHEBCHEOGG1
SCHEMBL4095293 0.87 PDE5A (1.00) PDE5AAPPACHEBCHEOGG1
SCHEMBL4867110 0.86 PDE5A (0.70) PDE5AAPPOGG1MAPK1LMNA
SCHEMBL4863069 0.80 PDE5A (0.62) PDE5AAPPACHEBCHEOGG1
SCHEMBL26003555 0.79 PDE5A (0.49) PDE5AAPPACHEBCHEMAPK1
SCHEMBL4866829 0.79 PDE5A (0.78) PDE5AAPPACHEBCHEOGG1
SCHEMBL4894324 0.78 PDE5A (0.73) PDE5AAPPACHEBCHEOGG1
SCHEMBL25354735 0.76 PDE4A (0.64) PDE5AAPPACHEBCHEMAPK1
SCHEMBL4867367 0.76 PDE5A (0.78) PDE5AAPPACHEBCHEOGG1

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-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2008-08-28 US claimed
JP-2008526734-A 2008-07-24 JP claimed
EP-1844023-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2007-10-17 EP claimed
WO-2006071095-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2006-07-06 WO claimed
US-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2008-08-28 US 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-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY GPR119, GCKR, GLP1R PDE5A 204/4885APP 4386/4885ACHE 371/4885

“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.