SCHEMBL4894973

SCHEMBL4894973

CC(C)(C)c1nc(NCCCCc2ccccc2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
APP P05067 6/20 0.53
ACHE P22303 5/20 0.53
BCHE P06276 4/20 0.53
TLR7 Q9NYK1 1/20 0.53
PDE5A O76074 1/20 0.51
CASP6 P55212 1/20 0.51
CCNE2 O96020 1/20 0.49
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
KMT2A Q03164 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
TOP2A P11388 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL4890406 0.91 APP (0.64) GBA1APPACHEBCHETLR7
SCHEMBL4867144 0.87 CCNB2 (0.57) GBA1CYP1A2CYP2D6CYP2C19APP
SCHEMBL4866885 0.82 GBA1 (0.59) GBA1CYP1A2CYP2D6CYP2C19APP
SCHEMBL4868172 0.82 RAD52 (0.65) GBA1APPACHEBCHEPDE5A
SCHEMBL5107692 0.81 MAPK1 (0.59) GBA1TLR7CCNE2CDK4CCND1
SCHEMBL5104398 0.79 CCNE2 (0.63) GBA1APPACHEBCHETLR7
SCHEMBL4867595 0.79 APP (0.56) GBA1CYP1A2CYP2D6CYP2C19APP
SCHEMBL4863010 0.78 GBA1 (0.58) GBA1CYP1A2CYP2D6CYP2C19APP
SCHEMBL4863857 0.78 PDE5A (0.82) GBA1PDE5AKMT2AKDM4EMAPK1
SCHEMBL4865339 0.77 PDE5A (0.80) GBA1PDE5AKMT2AKDM4EMAPK1

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 5 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

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 2919/4885CYP1A2 528/4885CYP2D6 1681/4885

“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.