SCHEMBL4859931

SCHEMBL4859931

CC(C)c1nc(NCc2cccc(C(F)(F)F)c2)c2ccccc2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.70
CDK2 P24941 3/20 0.56
CCNE2 O96020 2/20 0.56
CCNE1 P24864 2/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
USP1 O94782 2/20 0.48
WDR48 Q8TAF3 2/20 0.48
CDK1 P06493 1/20 0.48
RAD52 P43351 1/20 0.47
MITF O75030 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPK8 P45983 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
CDK7 P50613 1/20 0.47
CCNH P51946 1/20 0.47
MNAT1 P51948 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
SCHEMBL5113671 0.85 APP (0.74) APPCDK2CCNE2CCNE1MEN1
SCHEMBL4863308 0.85 APP (0.68) APPCDK2CCNE2CCNE1MEN1
SCHEMBL4863048 0.84 APP (0.66) APPMEN1KMT2ABCHEACHE
SCHEMBL5107781 0.83 APP (0.71) APPCDK2CCNE2CCNE1MEN1
SCHEMBL4864021 0.81 APP (0.73) APPCDK2CCNE2CCNE1MEN1
SCHEMBL4866870 0.81 APP (0.73) APPCDK2CCNE2CCNE1MEN1
SCHEMBL4863323 0.81 APP (0.71) APPMEN1KMT2ABCHEACHE
SCHEMBL4868511 0.80 APP (0.67) APPCDK2CCNE2CCNE1MEN1
SCHEMBL9430554 0.77 EGFR (0.69) APPCDK2CCNE2CCNE1MAPK1
SCHEMBL4867671 0.77 PDE5A (0.69) APPCDK2CCNE2CCNE1MEN1

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 APP 4386/4885CDK2 1486/4885CCNE2 3496/4885

“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.