SCHEMBL4863789

SCHEMBL4863789

CCSc1nc(NCCCOC(C)C)c2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.65
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
HPGD P15428 1/20 0.48
ACP1 P24666 1/20 0.45
LMNA P02545 4/20 0.45
TP53 P04637 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ABL1 P00519 1/20 0.44
SRC P12931 1/20 0.44
CASP6 P55212 1/20 0.44
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4867045 0.84 ACP1 (0.63) GBA1ALDH1A1MAPK1ACP1LMNA
SCHEMBL4867969 0.82 MAPT (0.59) ALDH1A1MAPK1HPGDLMNATP53
SCHEMBL4868696 0.81 LMNA (0.57) GBA1ACP1LMNATP53ABL1
SCHEMBL4867402 0.80 GBA1 (0.98) GBA1ALDH1A1MAPK1ACP1TP53
SCHEMBL4866041 0.80 LMNA (0.56) GBA1MAPK1ACP1LMNATP53
SCHEMBL4865325 0.79 MAPK1 (0.57) GBA1ALDH1A1MAPK1HPGDLMNA
SCHEMBL4866137 0.79 ACP1 (0.60) ALDH1A1MAPK1HPGDACP1LMNA
SCHEMBL4864553 0.78 LMNA (0.65) MAPK1LMNATP53KDM4EKMT2A
SCHEMBL4866812 0.78 MAPT (0.48) GBA1ALDH1A1MAPK1LMNATP53
SCHEMBL4866091 0.76 APP (0.57) ALDH1A1MAPK1ACP1LMNATP53

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 2919/4885ALDH1A1 2625/4885MAPK1 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.