SCHEMBL4863775

SCHEMBL4863775

CN(c1nc(-c2ccccc2)nc2ccccc12)C1CCCCC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 8/20 0.80
POLB P06746 3/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
TSHR P16473 3/20 0.74
MAPK1 P28482 1/20 0.74
PDE5A O76074 4/20 0.57
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
MCL1 Q07820 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
ACP1 P24666 2/20 0.54
CYP1A2 P05177 2/20 0.54
GLA P06280 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 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
SCHEMBL4867366 0.99 GBA1 (0.79) GBA1POLBSMN1; SMN2TSHRMAPK1
SCHEMBL13732933 0.89 GBA1 (0.65) GBA1POLBSMN1; SMN2TSHRMAPK1
SCHEMBL18354341 0.89 GBA1 (1.00) GBA1POLBSMN1; SMN2TSHRMAPK1
SCHEMBL18354441 0.89 GBA1 (1.00) GBA1POLBSMN1; SMN2TSHRMAPK1
SCHEMBL18353969 0.89 GBA1 (1.00) GBA1POLBSMN1; SMN2TSHRMAPK1
SCHEMBL18353895 0.87 GBA1 (1.00) GBA1POLBSMN1; SMN2TSHRMAPK1
SCHEMBL1084276 0.83 CHEK2 (0.72) GBA1POLBSMN1; SMN2TSHRMAPK1
SCHEMBL4092997 0.83 GBA1 (0.61) GBA1POLBSMN1; SMN2TSHRMAPK1
SCHEMBL8133428 0.82 GBA1 (0.59) GBA1POLBSMN1; SMN2TSHRMAPK1
SCHEMBL1084147 0.79 POLB (1.00) GBA1POLBSMN1; SMN2TSHRMAPK1

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 GBA1 2919/4885POLB 4499/4885SMN1; SMN2 4818/4885

“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.