SCHEMBL4192024

SCHEMBL4192024

O=c1c2c(Cc3ccccc3Cl)n[nH]c2c2cccnc2n1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
AR P10275 1/20 0.39
PDE4B Q07343 2/20 0.38
PDE4D Q08499 2/20 0.38
MAPT P10636 4/20 0.36
NPBWR1 P48145 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
CHRM5 P08912 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
IDO1 P14902 1/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34
GYS1 P13807 1/20 0.34
ABCB1 P08183 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL4195939 0.91 PDE1A (0.41) PDE1APDE1BARPDE4BPDE4D
SCHEMBL4187587 0.90 AR (0.43) PDE1APDE1BARPDE4BPDE4D
SCHEMBL4195974 0.90 PDE1A (0.40) PDE1APDE1BARPDE4BPDE4D
SCHEMBL4192191 0.89 ADORA2A (0.42) PDE1APDE1BARPDE4BPDE4D
SCHEMBL4189836 0.88 TP53 (0.42) PDE1APDE1BARPDE4BPDE4D
SCHEMBL4197165 0.88 PDE1A (0.51) PDE1APDE1BPDE4BPDE4DMAPT
SCHEMBL4194472 0.87 AR (0.42) PDE1APDE1BARPDE4BPDE4D
SCHEMBL4187720 0.87 PDE1A (0.45) PDE1APDE1BPDE4BPDE4DPDE4A
SCHEMBL4186970 0.86 PDE1A (0.44) PDE1APDE1BPDE4BPDE4DMAPT
SCHEMBL4197168 0.86 PDE1A (0.50) PDE1APDE1BPDE4BPDE4DPDE4A

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 5 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 claimed
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 21/4885AR 4032/4885

“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.