SCHEMBL4182646

SCHEMBL4182646

O=c1c2c(Cc3ccc(C(F)(F)F)cc3)n[nH]c2c2cccnc2n1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.55
PDE1B Q01064 1/20 0.55
PDE4A P27815 8/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
PDE4D Q08499 6/20 0.43
EP300 Q09472 1/20 0.40
CREBBP Q92793 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
FEN1 P39748 1/20 0.39
PARP1 P09874 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
REN P00797 1/20 0.37
MAPK8 P45983 2/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4185765 0.92 PDE1A (0.46) PDE1APDE1BPDE4BPDE4DEP300
SCHEMBL2410839 0.90 PDE1A (0.66) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL4194544 0.90 PDE1A (0.52) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL4192481 0.90 PDE1A (0.52) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL2409264 0.89 PDE1A (0.58) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL4192513 0.88 PDE1A (0.52) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL4192248 0.88 PDE1A (0.42) PDE1APDE1BPDE4APDE4BPDE4D
SCHEMBL2409632 0.87 PDE1A (0.58) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL2408474 0.87 PDE1A (0.58) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL4190234 0.86 PARP1 (0.45) PDE1APDE1BPDE4BPDE4DPARP1

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
EP-1925617-B1 HETEROCYCLIC COMPOUND, AND PRODUCTION PROCESS AND USE THEREOF ASKA PHARM CO LTD (JP) 2012-11-14 EP disclosed
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.