SCHEMBL4866258

SCHEMBL4866258

CCOc1cc2ncnc(NCc3ccc(Cl)cc3)c2cc1OCC

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.80
EGFR P00533 7/20 0.78
ERBB2 P04626 2/20 0.78
HTT P42858 4/20 0.62
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
RAF1 P04049 1/20 0.61
LMNA P02545 1/20 0.60
HPGD P15428 1/20 0.60
LCK P06239 1/20 0.59
FBP1 P09467 2/20 0.59
PDE5A O76074 1/20 0.59
STAT1 P42224 1/20 0.58
AURKA O14965 2/20 0.57

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
SCHEMBL9921508 0.80 HTT (0.74) MAPK1EGFRHTTALDH1A1MEN1
SCHEMBL13844526 0.77 EGFR (0.62) MAPK1EGFRERBB2HTTMEN1
SCHEMBL6181626 0.77 MEN1 (1.00) MAPK1EGFRHTTKDM4EALDH1A1
SCHEMBL22164645 0.77 HTT (0.81) MAPK1EGFRERBB2HTTKDM4E
SCHEMBL14156620 0.77 EGFR (0.62) MAPK1EGFRERBB2HTTKDM4E
SCHEMBL13058955 0.76 HDAC3 (0.84) MAPK1EGFRERBB2
Hydrochloric Acid SCHEMBL22290778 0.76 EGFR (0.80) MAPK1EGFRERBB2HTTKDM4E
SCHEMBL13192098 0.76 EGFR (0.97) MAPK1EGFRERBB2HTTKDM4E
Hydrochloric Acid SCHEMBL31429504 0.76 EGFR (0.80) MAPK1EGFRERBB2HTTKDM4E
SCHEMBL9921504 0.75 EGFR (0.67) MAPK1EGFRHTTALDH1A1MEN1

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 MAPK1 513/4885EGFR 4822/4885ERBB2 4572/4885

“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.