SCHEMBL6881236

SCHEMBL6881236

COc1cc2c(cc1OCCCN1CCN(C)CC1)NC(=O)NC2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
CHEK1 O14757 1/20 0.43
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
TLR7 Q9NYK1 3/20 0.42
TLR9 Q9NR96 2/20 0.42
EHMT2 Q96KQ7 5/20 0.42
TERT O14746 1/20 0.41
EHMT1 Q9H9B1 3/20 0.40

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
SCHEMBL3280903 0.90 TSHR (0.47) CHEK1
SCHEMBL2836782 0.80 PDE3B (0.61) PDE3BPDE3A
SCHEMBL6031474 0.73 EGFR (0.50) PDE3BPDE3A
SCHEMBL6487209 0.72 TSHR (0.47)
SCHEMBL15613194 0.70 EGFR (0.46) CHEK1
SCHEMBL5912839 0.70 MAPT (0.50) PDE3BPDE3A
SCHEMBL6881241 0.70 CHEK1 (0.42) CHEK1TLR7TLR9EHMT2EHMT1
SCHEMBL4025116 0.70 EHMT2 (0.52) CHEK1DRD2DRD3TLR7TLR9
SCHEMBL12448364 0.68 KDM4E (0.51) DRD2DRD3EHMT2EHMT1
SCHEMBL4096057 0.68 EGFR (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 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 (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-20040044015-A1 Quinazoline derivatives NQO2, NRAS, TOP1 PDE3B 730/4885PDE3A 376/4885CHEK1 823/4885

“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.