SCHEMBL4186970

SCHEMBL4186970

O=c1c2c(Cc3ccc(OC(F)(F)F)cc3)n[nH]c2c2cccnc2n1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE4B Q07343 2/20 0.40
PDE4D Q08499 2/20 0.40
IDO1 P14902 1/20 0.38
PARP1 P09874 4/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNN4 O15554 2/20 0.36
BRAF P15056 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
GRM2 Q14416 1/20 0.34
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL4180788 0.95 PARP1 (0.43) PDE1APDE1BPDE4BPDE4DIDO1
SCHEMBL4197165 0.95 PDE1A (0.51) PDE1APDE1BPDE4BPDE4DIDO1
SCHEMBL4192248 0.94 PDE1A (0.42) PDE1APDE1BPDE4BPDE4DIDO1
SCHEMBL4187720 0.94 PDE1A (0.45) PDE1APDE1BPDE4BPDE4DIDO1
SCHEMBL4183631 0.93 PDE1A (0.42) PDE1APDE1BPDE4BPDE4DIDO1
SCHEMBL4192513 0.93 PDE1A (0.52) PDE1APDE1BPDE4BPDE4DPARP1
SCHEMBL4197168 0.90 PDE1A (0.50) PDE1APDE1BPDE4BPDE4DPARP1
SCHEMBL4192370 0.90 PDE1A (0.42) PDE1APDE1BPDE4BPDE4DIDO1
SCHEMBL4187892 0.89 PDE1A (0.41) PDE1APDE1BPDE4BPDE4DPARP1
SCHEMBL4194613 0.89 PDE1A (0.40) PDE1APDE1BPDE4BPDE4DIDO1

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 21/4885PDE4B 2/4885

“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.