SCHEMBL4867595

SCHEMBL4867595

CC(C)c1nc(NCCCCc2ccccc2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.56
ACHE P22303 5/20 0.56
BCHE P06276 4/20 0.56
GBA1 P04062 3/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
PDE5A O76074 1/20 0.51
CASP6 P55212 1/20 0.51
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ACP1 P24666 1/20 0.47
EGFR P00533 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL4863959 0.91 APP (0.67) APPACHEBCHEGBA1PDE5A
SCHEMBL4866885 0.82 GBA1 (0.59) APPACHEBCHEGBA1CYP1A2
SCHEMBL4863048 0.82 APP (0.66) APPACHEBCHEGBA1PDE5A
SCHEMBL4866356 0.81 MAPK1 (0.59) GBA1ALDH1A1TSHRMAPK1KDM4E
SCHEMBL4866463 0.79 LMNA (0.61) APPACHEBCHEGBA1PDE5A
SCHEMBL4894973 0.79 GBA1 (0.56) APPACHEBCHEGBA1CYP1A2
SCHEMBL4863857 0.78 PDE5A (0.82) GBA1PDE5AALDH1A1MAPK1KDM4E
SCHEMBL4863010 0.78 GBA1 (0.58) APPACHEBCHEGBA1CYP1A2
SCHEMBL4865339 0.77 PDE5A (0.80) GBA1PDE5AALDH1A1MAPK1KDM4E
SCHEMBL4866041 0.77 LMNA (0.56) APPACHEBCHEGBA1CYP1A2

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 APP 4386/4885ACHE 371/4885BCHE 550/4885

“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.