SCHEMBL4864232

SCHEMBL4864232

Clc1ccc(-c2nc(NCCCCc3ccccc3)c3ccccc3n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
POLB P06746 1/20 0.69
PDE5A O76074 5/20 0.68
GBA1 P04062 3/20 0.68
SLC2A1 P11166 1/20 0.67
MAPK1 P28482 3/20 0.62
KDM4E B2RXH2 1/20 0.62
MAPT P10636 3/20 0.62
NPSR1 Q6W5P4 1/20 0.62
SLC6A3 Q01959 2/20 0.61
TP53 P04637 1/20 0.61
ACP1 P24666 1/20 0.60
PDE10A Q9Y233 1/20 0.59
TSHR P16473 1/20 0.58
ATM Q13315 1/20 0.56

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
SCHEMBL4868215 0.91 PDE5A (0.82) MEN1KMT2APOLBPDE5AGBA1
SCHEMBL4863857 0.91 PDE5A (0.82) MEN1KMT2APOLBPDE5AGBA1
SCHEMBL4865339 0.90 PDE5A (0.80) MEN1KMT2APOLBPDE5AGBA1
SCHEMBL4868103 0.86 PDE5A (0.82) MEN1KMT2APOLBPDE5AGBA1
SCHEMBL2583256 0.83 PDE5A (0.90) MEN1KMT2APOLBPDE5AGBA1
SCHEMBL16217089 0.82 PDE5A (0.82) MEN1KMT2APOLBPDE5ASLC2A1
SCHEMBL4864398 0.82 MEN1 (0.85) MEN1KMT2APOLBPDE5AGBA1
SCHEMBL1085431 0.82 PDE5A (1.00) MEN1KMT2APDE5AGBA1MAPK1
SCHEMBL18354428 0.81 GBA1 (1.00) MEN1KMT2APDE5AGBA1MAPK1
SCHEMBL4913681 0.81 GBA1 (0.71) MEN1KMT2APOLBPDE5AGBA1

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 7 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
EP-1844023-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2007-10-17 EP disclosed
WO-2006071095-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2006-07-06 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-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY GPR119, GCKR, GLP1R MEN1 3837/4885KMT2A 1662/4885POLB 4499/4885

“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.