SCHEMBL6288630

SCHEMBL6288630

COc1ccc(-c2nc(-n3cncn3)c3c(C)nc(CC(C)C)n3n2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.38
GRM7 Q14831 3/20 0.38
XPO1 O14980 1/20 0.35
PDE10A Q9Y233 1/20 0.34
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
MAPT P10636 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
CASR P41180 2/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL6288550 0.86 GRM7 (0.41) S1PR1GRM7XPO1MAPTGSK3A
SCHEMBL6291459 0.85 S1PR1 (0.37) S1PR1GRM7XPO1MAPTGSK3A
SCHEMBL6288552 0.84 GRM7 (0.38) S1PR1GRM7XPO1MAPTGSK3A
SCHEMBL6291832 0.79 GRM7 (0.41) GRM7MAPTNPC1
SCHEMBL6288587 0.78 GRM7 (0.44) GRM7MAPTNPC1
SCHEMBL6288364 0.78 GRM7 (0.39) GRM7MAPT
SCHEMBL6291398 0.76 GRM7 (0.40) GRM7MAPT
SCHEMBL6288411 0.76 TUBB4A (0.36) XPO1PDE10ADRD1DRD5HRH4
SCHEMBL6291872 0.72 PDE5A (0.42) PDE10ADRD1DRD5CASR
SCHEMBL6288398 0.72 ALDH1A1 (0.42) GRM7PDE10AMEN1NPC1KMT2A

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
US-6936609-B2 Imidazotriazines for use as phosphodiesterase inhibitors BAYER HEALTHCARE AG (DE) 2005-08-30 US disclosed
US-20040249148-A1 Imidazotriazines for use as phosphodiesterase inhibitors BAYER HEALTHCARE AG (DE) 2004-12-09 US disclosed
EP-1404677-A1 IMIDAZOTRIAZINES FOR USE AS PHOSPHODIESTERASE INHIBITORS Bayer HealthCare AG (DE) 2004-04-07 EP disclosed
WO-2003000693-A1 IMIDAZOTRIAZINES FOR USE AS PHOSPHODIESTERASE INHIBITORS BAYER HEALTHCARE AG (DE) 2003-01-03 WO 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-20040249148-A1 Imidazotriazines for use as phosphodiesterase inhibitors PDE3A, PDE2A, PDE4A S1PR1 2809/4885GRM7 2512/4885XPO1 3890/4885

“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.