SCHEMBL3231833

SCHEMBL3231833

CCOc1cc2nc[nH]c(=O)c2cc1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
PARP1 P09874 7/20 0.41
CHEK1 O14757 2/20 0.41
PIM1 P11309 2/20 0.41
RPS6KA3 P51812 1/20 0.41
IP6K1 Q92551 3/20 0.39
SRC P12931 1/20 0.39
ALDH1A1 P00352 1/20 0.38
AKT1 P31749 1/20 0.38
FLT3 P36888 1/20 0.38
PIM3 Q86V86 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
ENPP1 P22413 1/20 0.37
ACVR1 Q04771 1/20 0.37
POLB P06746 1/20 0.37
IP6K3 Q96PC2 1/20 0.36
IP6K2 Q9UHH9 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL1998529 0.92 SLC2A1 (0.54) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL1011012 0.89 PARP1 (0.50) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL8960 0.86 SRC (0.52) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL297611 0.86 SRC (0.52) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL1014333 0.83 SRC (0.55) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL1012421 0.83 SRC (0.55) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL4226040 0.83 IP6K1 (0.57) SLC2A1PARP1IP6K1IP6K3IP6K2
SCHEMBL4018984 0.83 SLC2A1 (0.46) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL3725738 0.83 SLC2A1 (0.46) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL27576840 0.82 SLC2A1 (0.50) SLC2A1PARP1CHEK1PIM1RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021231400-A1 BIS-ARYL ETHERS CONTAINING N-ACYL AZETIDINE AS EGFR/HER2 INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2021-11-18 WO disclosed
WO-2021231400-A1 BIS-ARYL ETHERS CONTAINING N-ACYL AZETIDINE AS EGFR/HER2 INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2021-11-18 WO disclosed
US-20170081293-A1 Functionalized Tyrosine Kinase Inhibitors Modified with Precious Metal Electrophiles and Methods Associated Therewith WAKE FOREST UNIVERSITY 2017-03-23 US disclosed
EP-1369418-B1 QUINAZOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2010-07-28 EP disclosed
US-20070265260-A1 Quinazoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-11-15 US disclosed
US-7294629-B2 Quinazoline derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-11-13 US disclosed
US-20040116422-A1 Quinazoline derivatives MITSUBISHI PHARMA CORPORATION (JP) 2004-06-17 US disclosed
EP-1369418-A1 QUINAZOLINE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2003-12-10 EP 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 (2 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-20170081293-A1 Functionalized Tyrosine Kinase Inhibitors Modified with Precious Metal Electrophiles and Methods Associated Therewith ABL1, EGFR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SLC2A1 1039/4885PARP1 3817/4885CHEK1 58/4885
US-20070265260-A1 Quinazoline derivatives TYK2, ROR1, JAK1 SLC2A1 3025/4885PARP1 3728/4885CHEK1 446/4885

“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.