SCHEMBL4868040

SCHEMBL4868040

CCC(CC)Nc1nc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.70
ALDH1A1 P00352 1/20 0.69
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
MAPT P10636 2/20 0.65
HTT P42858 1/20 0.65
LATS1 O95835 2/20 0.63
LATS2 Q9NRM7 2/20 0.63
PDE5A O76074 4/20 0.62
ABCG2 Q9UNQ0 2/20 0.56
GBA1 P04062 1/20 0.56
ATM Q13315 1/20 0.56
CYP1A1 P04798 1/20 0.55
CYP1A2 P05177 1/20 0.55
MAPK1 P28482 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54

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
SCHEMBL4865136 0.89 ACP1 (0.60) ACP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL4866926 0.87 ACP1 (0.73) ACP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1083759 0.83 ACP1 (1.00) ACP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL4889107 0.79 ACP1 (0.71) ACP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL5103626 0.79 ACP1 (0.71) ACP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL5103688 0.79 KMT2A (1.00) ACP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL18388787 0.78 MEN1 (0.73) ACP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL20548226 0.77 LATS1 (1.00) LATS1LATS2
SCHEMBL13252164 0.77 LATS1 (0.60) ACP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL13252163 0.77 LATS1 (0.59) ACP1ALDH1A1MEN1KMT2AMAPT

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 3203/4885ALDH1A1 2625/4885MEN1 3837/4885

“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.