SCHEMBL5651013

SCHEMBL5651013

COc1cc2ncnc(N3CCCC(N4CCCCC4=O)C3)c2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 6/20 0.60
ENPP1 P22413 7/20 0.55
PDE10A Q9Y233 7/20 0.51
PDE3B Q13370 4/20 0.50
TLR9 Q9NR96 1/20 0.50
TLR7 Q9NYK1 1/20 0.50
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50

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
SCHEMBL14341442 0.85 EHMT2 (0.51) PDE3AENPP1PDE10APDE3B
SCHEMBL4717969 0.85 EHMT2 (0.51) PDE3AENPP1PDE10APDE3B
SCHEMBL14341441 0.83 PDE3A (0.43) PDE3AENPP1PDE10APDE3B
SCHEMBL5479463 0.83 PDE3A (0.43) PDE3AENPP1PDE10APDE3B
SCHEMBL4717317 0.83 PDE3A (0.43) PDE3AENPP1PDE10APDE3B
SCHEMBL5651020 0.80 RET (0.47) PDE3AENPP1PDE10AACHEBACE1
SCHEMBL5653867 0.79 PDE10A (0.46) PDE3AENPP1PDE10A
SCHEMBL4164651 0.79 PDE10A (0.46) PDE3AENPP1PDE10A
SCHEMBL4791600 0.79 PDE10A (0.46) PDE3AENPP1PDE10A
SCHEMBL5653291 0.79 PDE10A (0.46) PDE3AENPP1PDE10A

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-20070265258-A1 Quinazoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
US-20070265258-A1 Quinazoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
US-20070265258-A1 Quinazoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
WO-2007103370-A2 QUINAZOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 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-20070265258-A1 Quinazoline derivatives as phosphodiesterase 10 inhibitors PDE12, PDE5A, PDE7A PDE3A 6/4885ENPP1 537/4885PDE10A 5/4885

“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.