SCHEMBL16843084

SCHEMBL16843084

CCc1ccc2c(NC3(C)CCOC3C)ncnc2c1OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 8/20 0.46
▸ PDE1A P54750 6/20 0.46
▸ PDE1C Q14123 6/20 0.46
▸ PDE5A O76074 13/20 0.34
▸ PDE2A O00408 2/20 0.33
▸ PDE8B O95263 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PDE11A Q9HCR9 1/20 0.31
▸ PDE7B Q9NP56 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30

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
SCHEMBL16822604 0.86 PDE1B (0.61) PDE1BPDE1APDE1CPDE5APDE2A
SCHEMBL20924052 0.86 PDE1B (0.48) PDE1BPDE1APDE1CPDE5APDE2A
SCHEMBL17142266 0.79 PDE1B (0.48) PDE1BPDE1APDE1CPDE5APDE4B
SCHEMBL17142268 0.79 PDE1B (0.48) PDE1BPDE1APDE1CPDE5APDE4B
SCHEMBL17142281 0.74 EGFR (0.48) PDE1BPDE1APDE1C
SCHEMBL20913250 0.70 PDE1B (0.53) PDE1BPDE1APDE1CPDE4BJAK2
SCHEMBL16822550 0.65 PDE1B (0.51) PDE1BPDE1APDE1CPDE5APDE2A
SCHEMBL16822569 0.65 PDE1B (0.53) PDE1BPDE1APDE1CPDE5APDE2A
SCHEMBL16822553 0.63 PDE1B (1.00) PDE1BPDE1APDE1CPDE5APDE2A
SCHEMBL20924188 0.60 PDE1B (0.37) PDE1BPDE1APDE1CPDE5APDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175584-A1 Quinazolin-THF-amines as PDE1 inhibitors H. LUNDBECK A/S (DK) 2015-06-25 — — US disclosed
US-20150175584-A1 Quinazolin-THF-amines as PDE1 inhibitors H. LUNDBECK A/S (DK) 2015-06-25 — — 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-20150175584-A1 Quinazolin-THF-amines as PDE1 inhibitors PDE12, PDE3A, PDE5A PDE1B 15/4885PDE1A 13/4885PDE1C 29/4885

“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.

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