SCHEMBL4760833

SCHEMBL4760833

COc1cc2ncnc(Nc3ccc(CC(=O)O)cc3)c2cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.69
EGFR P00533 9/20 0.69
PDGFRB P09619 1/20 0.68
FLT4 P35916 1/20 0.68
RET P07949 2/20 0.68
GAK O14976 1/20 0.68
RIPK2 O43353 1/20 0.68
STK10 O94804 1/20 0.68
FLT3 P36888 1/20 0.68
JAK3 P52333 1/20 0.68
AAK1 Q2M2I8 1/20 0.68
Q6ZSR9 Q6ZSR9 1/20 0.68
SLK Q9H2G2 1/20 0.68
IRAK4 Q9NWZ3 1/20 0.68
RPS6KA6 Q9UK32 1/20 0.68
ALK Q9UM73 1/20 0.68
LCK P06239 3/20 0.67
PIK3CD O00329 1/20 0.67
PIK3CA P42336 1/20 0.67
PIK3CB P42338 1/20 0.67

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
SCHEMBL25682990 0.84 KDR (0.78) KDREGFRRETGAKRIPK2
SCHEMBL4760331 0.84 PDGFRB (0.63) KDREGFRPDGFRBFLT4RET
SCHEMBL22164809 0.83 EGFR (0.71) KDREGFRRETGAKRIPK2
SCHEMBL18158179 0.83 EGFR (0.79) KDREGFRRETGAKRIPK2
SCHEMBL22300265 0.83 EGFR (0.71) KDREGFRRETGAKRIPK2
SCHEMBL6689322 0.83 PIK3CD (0.69) KDREGFRRETGAKRIPK2
SCHEMBL5865180 0.83 EGFR (0.74) KDREGFRRETGAKRIPK2
SCHEMBL22299657 0.83 EGFR (0.67) KDREGFRRETGAKRIPK2
Hydrochloric Acid SCHEMBL8811415 0.82 EGFR (0.79) KDREGFRRETGAKRIPK2
Hydrochloric Acid SCHEMBL8810155 0.82 EGFR (0.79) KDREGFRRETGAKRIPK2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
WO-2019046778-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-03-07 WO disclosed
US-7413727-B2 Contrast agents GE HEALTHCARE AS (NO) 2008-08-19 US disclosed
EP-1442751-B1 Diagnostic imaging technique GE HEALTHCARE AS (NO) 2007-06-20 EP disclosed
EP-1442751-A1 Method of imaging Amersham Health AS (NO) 2004-08-04 EP disclosed
EP-0977600-B1 CONTRAST AGENTS TARGETTING RECEPTORS ASSOCIATED WITH ANGIOGENESIS AMERSHAM HEALTH AS (NO) 2004-06-30 EP disclosed
US-20040009122-A1 Contrast agents AMERSHAM HEALTH AS (NO) 2004-01-15 US disclosed
US-6610269-B1 Disease state imaged using a targeted contrast agent of the formula V-L-R, where V is a vector moiety having affinity for an angiogenesis-related endothelial cell receptor, L is a linker, R is a macromolecular or particulate label AMERSHAM HEALTH AS (NO) 2003-08-26 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 (3 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-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 KDR 2584/4885EGFR 2429/4885PDGFRB 488/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 KDR 2584/4885EGFR 2429/4885PDGFRB 488/4885
US-20040009122-A1 Contrast agents FLT1, FLT4, KDR KDR 3/4885EGFR 54/4885PDGFRB 181/4885

“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.