SCHEMBL4856835

SCHEMBL4856835

Cc1nc(NCCc2ccccc2)c2ccccc2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.69
ACHE P22303 8/20 0.69
BCHE P06276 6/20 0.69
PDE5A O76074 3/20 0.67
MAPK1 P28482 2/20 0.61
LMNA P02545 2/20 0.61
HTT P42858 2/20 0.61
EGFR P00533 1/20 0.61
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
JAK2 O60674 1/20 0.59
METAP1 P53582 1/20 0.59
PPP1CA P62136 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
SLC6A3 Q01959 1/20 0.59
HRH4 Q9H3N8 1/20 0.59

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
SCHEMBL4866885 0.90 GBA1 (0.59) APPACHEBCHEPDE5ALMNA
SCHEMBL4864860 0.87 LMNA (0.65) APPACHEBCHEPDE5AMAPK1
SCHEMBL3977315 0.84 RAD52 (0.71) APPACHEBCHEPDE5ALMNA
SCHEMBL4859263 0.83 MAPK1 (0.64) PDE5AMAPK1LMNAHTTKDM4E
SCHEMBL17799869 0.81 APP (1.00) APPACHEBCHEPDE5AMAPK1
SCHEMBL4890406 0.81 APP (0.64) APPACHEBCHEPDE5AMAPK1
SCHEMBL4863959 0.81 APP (0.67) APPACHEBCHEPDE5AMAPK1
SCHEMBL1085431 0.80 PDE5A (1.00) APPPDE5AMAPK1KDM4EJAK2
SCHEMBL4864862 0.80 APP (0.68) APPACHEBCHEPDE5AMAPK1
SCHEMBL8547756 0.80 APP (0.76) APPACHEBCHEPDE5AGBA1

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 APP 4386/4885ACHE 371/4885BCHE 550/4885

“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.