SCHEMBL4866137

SCHEMBL4866137

CCSc1nc(NCC(C)C)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.60
TLR7 Q9NYK1 2/20 0.58
LMNA P02545 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
APP P05067 4/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
BCHE P06276 3/20 0.42
ACHE P22303 3/20 0.42
PDE5A O76074 2/20 0.42
TP53 P04637 1/20 0.42
LATS1 O95835 1/20 0.41
LATS2 Q9NRM7 1/20 0.41
SRC P12931 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL4866091 0.83 APP (0.57) ACP1TLR7LMNAKDM4EMAPT
SCHEMBL4863793 0.82 APP (0.62) LMNAKDM4EPOLBMAPTAPP
SCHEMBL4868605 0.81 MEN1 (0.56) ACP1TLR7LMNAKDM4EMAPT
SCHEMBL4865325 0.81 MAPK1 (0.57) LMNAKDM4EHPGDPOLBMAPT
SCHEMBL4867045 0.81 ACP1 (0.63) ACP1TLR7LMNAKDM4EPOLB
SCHEMBL4864291 0.80 KDM4E (0.53) LMNAKDM4EHPGDPOLBMAPT
SCHEMBL4864553 0.80 LMNA (0.65) LMNAKDM4EMAPTAPPMAPK1
SCHEMBL5108077 0.80 MAPT (0.59) LMNAKDM4EHPGDMAPTALDH1A1
SCHEMBL4863789 0.79 GBA1 (0.65) ACP1LMNAKDM4EHPGDPOLB
SCHEMBL4867969 0.78 MAPT (0.59) LMNAKDM4EHPGDMAPTMAPK1

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 ACP1 3203/4885TLR7 913/4885LMNA 3549/4885

“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.