SCHEMBL5113858

SCHEMBL5113858

COc1ccc(CNc2nc(C(C)C)nc3ccccc23)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 15/20 0.69
CYP3A4 P08684 15/20 0.69
CYP2C19 P33261 15/20 0.69
TSHR P16473 14/20 0.69
CYP2D6 P10635 12/20 0.69
LMNA P02545 9/20 0.69
HSD17B10 Q99714 9/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
MAPT P10636 3/20 0.69
CYP2C9 P11712 13/20 0.67
USP2 O75604 8/20 0.67
MEN1 O00255 8/20 0.67
KMT2A Q03164 8/20 0.67
ALOX15 P16050 4/20 0.67
ALDH1A1 P00352 6/20 0.63
CLK4 Q9HAZ1 3/20 0.63
KDM4E B2RXH2 2/20 0.63
TP53 P04637 1/20 0.63
BLM P54132 1/20 0.63
TDP1 Q9NUW8 1/20 0.63

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
SCHEMBL5104301 0.91 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL5102199 0.90 CYP1A2 (0.65) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL5102203 0.87 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL4864864 0.87 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL4868243 0.86 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL3110831 0.84 CYP1A2 (0.71) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL5104377 0.83 CYP1A2 (0.90) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL4868260 0.82 APP (0.70) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL4863323 0.82 APP (0.71) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL5103948 0.82 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19TSHRCYP2D6

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 4 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
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 CYP1A2 528/4885CYP3A4 441/4885CYP2C19 466/4885

“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.