SCHEMBL4189450

SCHEMBL4189450

COCc1n[nH]c2c1c(=O)n(-c1ccccc1)c1ncccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53
PDE4A P27815 7/20 0.48
PDE4B Q07343 6/20 0.48
PDE4C Q08493 6/20 0.48
PDE4D Q08499 6/20 0.48
FEN1 P39748 1/20 0.44
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
LDHA P00338 1/20 0.38
LOXL3 P58215 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
MAPK8 P45983 1/20 0.37
REN P00797 1/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8802500 0.85 PDE1A (0.53) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL2410839 0.84 PDE1A (0.66) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL2411012 0.84 AR (0.50) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL2408536 0.84 PDE1A (0.55) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL2411059 0.83 PDE1A (0.59) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL2409708 0.83 PDE1A (0.52) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL2409632 0.82 PDE1A (0.58) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL2411594 0.82 PDE1A (0.55) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL2409801 0.82 PDE1A (0.57) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL8803918 0.82 PDE1A (0.56) PDE1APDE1BPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193356-B2 Heterocycle compound, and production process and application thereof ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-20090131467-A1 Heterocycle Compound, and Production Process and Application Thereof ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-21 US disclosed
EP-1925617-A1 HETEROCYCLIC COMPOUND, AND PRODUCTION PROCESS AND USE THEREOF ASKA Pharmaceutical Co., Ltd. (JP) 2008-05-28 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 (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-20090131467-A1 Heterocycle Compound, and Production Process and Application Thereof PDE3B, PDE4B, PDE7A PDE1A 26/4885PDE1B 21/4885PDE4A 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.