SCHEMBL4860036

SCHEMBL4860036

CC(C)CCNc1nc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 4/20 0.74
PDE5A O76074 4/20 0.72
MAPK1 P28482 2/20 0.66
GBA1 P04062 3/20 0.65
TLR9 Q9NR96 1/20 0.64
ALDH1A1 P00352 1/20 0.62
SIRT5 Q9NXA8 1/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ATM Q13315 1/20 0.61
POLB P06746 1/20 0.60
KDM4E B2RXH2 1/20 0.60
RECQL P46063 1/20 0.60
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL5113514 0.86 PDE5A (0.68) ACP1PDE5AMAPK1GBA1TLR9
SCHEMBL4084505 0.85 ACP1 (1.00) ACP1PDE5AMAPK1GBA1TLR9
SCHEMBL1085567 0.84 PDE5A (1.00) ACP1PDE5AMAPK1GBA1TLR9
SCHEMBL18041210 0.83 ACP1 (0.53) ACP1PDE5AMAPK1GBA1TLR9
SCHEMBL4864234 0.81 ACP1 (1.00) ACP1PDE5AMAPK1GBA1TLR9
SCHEMBL4868357 0.81 CYP1A1 (0.82) ACP1PDE5AMAPK1GBA1TLR9
SCHEMBL17770433 0.81 PDE5A (0.73) ACP1PDE5AMAPK1GBA1TLR9
SCHEMBL4867402 0.80 GBA1 (0.98) ACP1PDE5AMAPK1GBA1TLR9
SCHEMBL29713600 0.80 TLR9 (0.95) ACP1PDE5AMAPK1GBA1TLR9
SCHEMBL1085391 0.80 TLR9 (0.95) ACP1PDE5AMAPK1GBA1TLR9

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 3203/4885PDE5A 204/4885MAPK1 513/4885

“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.