SCHEMBL4185632

SCHEMBL4185632

O=c1cc(O)c2cccnc2n1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.48
PDE4D Q08499 1/20 0.48
IDO1 P14902 1/20 0.44
RXRA P19793 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
PPARG P37231 1/20 0.39
HPD P32754 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
FEN1 P39748 1/20 0.38
KCNN4 O15554 2/20 0.38
PDE10A Q9Y233 1/20 0.38
DYRK1A Q13627 2/20 0.37
KMT2A Q03164 1/20 0.37
TOP2A P11388 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL4194695 0.83 PDE4B (0.47) PDE4BPDE4DPPARGKMT2ATLR7
SCHEMBL2406659 0.82 KMT2A (0.55) PDE4BPDE4DIDO1FEN1KMT2A
SCHEMBL2409501 0.80 FEN1 (0.57) PDE4BPDE4DFEN1KMT2A
SCHEMBL4196066 0.77 PDE4B (0.42) PDE4BPDE4DIDO1PPARGHPD
SCHEMBL2415404 0.76 PDE4B (0.47) PDE4BPDE4DFEN1NOTUM
SCHEMBL2407901 0.76 PKM (0.52) PDE4BPDE10AKMT2A
SCHEMBL4187691 0.75 PDE4B (0.44) PDE4BPDE4DIDO1RXRAGRIN1
SCHEMBL2412123 0.75 PDE4A (0.57) PDE4BPDE4DIDO1KMT2A
SCHEMBL4185730 0.75 PDE4B (0.43) PDE4BPDE4DIDO1F2RL3FEN1
SCHEMBL4194557 0.74 BCL2L1 (0.43) PDE4BPDE4DIDO1FEN1TOP2A

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 PDE4B 2/4885PDE4D 7/4885IDO1 2197/4885

“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.