SCHEMBL4894330

SCHEMBL4894330

CN(c1ccc2c(c1)OCO2)c1ncnc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.59
CLK4 Q9HAZ1 9/20 0.55
CYP1A2 P05177 6/20 0.55
CYP3A4 P08684 6/20 0.55
CYP2D6 P10635 6/20 0.55
CYP2C19 P33261 6/20 0.55
LMNA P02545 4/20 0.55
HSD17B10 Q99714 4/20 0.55
ALDH1A1 P00352 3/20 0.55
TSHR P16473 3/20 0.55
MAPK1 P28482 2/20 0.55
HIF1A Q16665 1/20 0.55
CYP2C9 P11712 3/20 0.53
USP2 O75604 2/20 0.53
ALOX15 P16050 1/20 0.53
PDE5A O76074 1/20 0.49
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
KDR P35968 1/20 0.49
CLK1 P49759 5/20 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
SCHEMBL5107707 0.81 EGFR (0.67) EGFRCLK4CYP1A2CYP3A4CYP2D6
SCHEMBL5107758 0.80 CYP1A2 (0.74) EGFRCLK4CYP1A2CYP3A4CYP2D6
SCHEMBL3114792 0.80 EGFR (0.57) EGFRCLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4890500 0.78 USP2 (0.55) EGFRCLK4CYP1A2CYP3A4CYP2D6
SCHEMBL5104641 0.78 CYP1A2 (0.55) EGFRCLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4884533 0.78 USP2 (0.55) EGFRCLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4887890 0.78 USP2 (0.52) EGFRCLK4CYP1A2CYP3A4CYP2D6
SCHEMBL3928314 0.78 EGFR (0.41) EGFRCLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4893642 0.76 USP2 (0.53) EGFRCLK4CYP1A2CYP3A4CYP2D6
SCHEMBL5107474 0.76 CYP1A2 (0.53) EGFRCLK4CYP1A2CYP3A4CYP2D6

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 EGFR 4822/4885CLK4 449/4885CYP1A2 528/4885

“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.