SCHEMBL16835554

SCHEMBL16835554

CNc1ncnc2c(OC)c(OC)ccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 8/20 0.66
PDE1A P54750 5/20 0.66
PDE1C Q14123 5/20 0.66
PDE5A O76074 10/20 0.51
PDE2A O00408 1/20 0.51
PDE8B O95263 1/20 0.51
PDE4D Q08499 1/20 0.51
PDE11A Q9HCR9 1/20 0.51
PDE7B Q9NP56 1/20 0.51
PDE10A Q9Y233 1/20 0.51
PDE4B Q07343 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
HPGD P15428 2/20 0.44
CYP2C19 P33261 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL30808243 0.80 EGFR (0.59) PDE1BPDE1APDE1CPDE5AKDM4E
SCHEMBL22435106 0.80 PDE1B (1.00) PDE1BPDE1APDE1CPDE5APDE2A
SCHEMBL12844112 0.78 PDE1B (0.55) PDE1BPDE1APDE1CPDE5APDE2A
SCHEMBL30605542 0.77 PDE1B (0.54) PDE1BPDE1APDE1CPDE5APDE2A
SCHEMBL857052 0.77 PDE1B (0.54) PDE1BPDE1APDE1CPDE5APDE2A
SCHEMBL12775446 0.74 PDE1B (0.51) PDE1BPDE1APDE1CPDE5APDE2A
SCHEMBL12843989 0.74 PDE1B (0.58) PDE1BPDE1APDE1CPDE5APDE2A
SCHEMBL12141932 0.74 PDE1B (0.61) PDE1BPDE1APDE1CPDE5APDE2A
SCHEMBL16822558 0.74 PDE1B (0.51) PDE1BPDE1APDE1CPDE5APDE2A
SCHEMBL16822617 0.74 PDE1B (0.51) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105829300-B Quinazoline-THF- amine as PDE1 inhibitor H.隆德贝克有限公司 2019-03-15 CN disclosed
US-10030007-B2 Quinazolin-THF-amines as PDE1 inhibitors H. LUNDBECK A/S (DK) 2018-07-24 US disclosed
US-20170267664-A1 Quinazolin-THF-Amines as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2017-09-21 US disclosed
US-9701665-B2 Quinazolin-THF-amines as PDE1 inhibitors H. LUNDBECK A/S (DK) 2017-07-11 US disclosed
US-20160318910-A1 Quinazolin-THF-Amines as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2016-11-03 US disclosed
EP-3083607-A1 QUINAZOLIN-THF-AMINES AS PDE1 INHIBITORS H. Lundbeck A/S (DK) 2016-10-26 EP disclosed
WO-2015091805-A1 QUINAZOLIN-THF-AMINES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2015-06-25 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 (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-10030007-B2 Quinazolin-THF-amines as PDE1 inhibitors PDE12, PDE3A, PDE5A PDE1B 15/4885PDE1A 12/4885PDE1C 29/4885
US-20160318910-A1 Quinazolin-THF-Amines as PDE1 Inhibitors PDE12, PDE3A, PDE5A PDE1B 15/4885PDE1A 13/4885PDE1C 29/4885
US-20170267664-A1 Quinazolin-THF-Amines as PDE1 Inhibitors PDE12, PDE3A, PDE5A PDE1B 15/4885PDE1A 12/4885PDE1C 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.