SCHEMBL6288552

SCHEMBL6288552

CCC(CC)c1nc(C)c2c(-n3cncn3)nc(-c3ccc(OC)c(Cl)c3)nn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 3/20 0.38
S1PR1 P21453 1/20 0.36
XPO1 O14980 1/20 0.33
MAPT P10636 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 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
SCHEMBL6291398 0.93 GRM7 (0.40) GRM7MAPTTP53CRHR1
SCHEMBL6291459 0.92 S1PR1 (0.37) GRM7S1PR1XPO1MAPTGSK3A
SCHEMBL6288550 0.86 GRM7 (0.41) GRM7S1PR1XPO1MAPTGSK3A
SCHEMBL6288364 0.85 GRM7 (0.39) GRM7MAPTTP53CRHR1
SCHEMBL6288630 0.84 S1PR1 (0.38) GRM7S1PR1XPO1MAPTGSK3A
SCHEMBL6291873 0.83 MAPT (0.31) MAPTTP53
SCHEMBL6291832 0.82 GRM7 (0.41) GRM7MAPTTP53
SCHEMBL6288587 0.78 GRM7 (0.44) GRM7MAPTTP53
SCHEMBL6288602 0.76 TUBB4A (0.38) MAPTHRH4TUBB4ATUBBTUBA3C
SCHEMBL6291357 0.75 SMN1; SMN2 (0.39) MAPTTP53

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 GRM7 2512/4885S1PR1 2809/4885XPO1 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.