SCHEMBL4863010

SCHEMBL4863010

c1ccc(CCCCNc2nc(Cc3ccccc3)nc3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.58
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
BCHE P06276 6/20 0.56
ACHE P22303 6/20 0.56
APP P05067 8/20 0.56
PDE5A O76074 1/20 0.53
CASP6 P55212 1/20 0.50
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
EGFR P00533 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
JAK2 O60674 1/20 0.48
METAP1 P53582 1/20 0.48
PPP1CA P62136 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL4864862 0.90 APP (0.68) GBA1BCHEACHEAPPPDE5A
SCHEMBL4866244 0.83 MAPK1 (0.59) GBA1BCHEACHEAPPMAPK1
SCHEMBL4866885 0.82 GBA1 (0.59) GBA1CYP1A2CYP2D6CYP2C19BCHE
SCHEMBL4859938 0.81 RAD52 (0.69) GBA1BCHEACHEAPPPDE5A
SCHEMBL4863857 0.81 PDE5A (0.82) GBA1PDE5AMAPK1KDM4EKMT2A
SCHEMBL4865339 0.80 PDE5A (0.80) GBA1PDE5AMAPK1KDM4EKMT2A
SCHEMBL4894973 0.78 GBA1 (0.56) GBA1CYP1A2CYP2D6CYP2C19BCHE
SCHEMBL4867144 0.78 CCNB2 (0.57) GBA1CYP1A2CYP2D6CYP2C19BCHE
SCHEMBL4867595 0.78 APP (0.56) GBA1CYP1A2CYP2D6CYP2C19BCHE
SCHEMBL8544714 0.78 APP (0.72) GBA1CYP1A2CYP2D6CYP2C19BCHE

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 2919/4885CYP1A2 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.