SCHEMBL6288542

SCHEMBL6288542

COc1ccc(-c2nc(Oc3cc(OC)c(OC)c(OC)c3)c3c(C)nc(C)n3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 2/20 0.43
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 2/20 0.39
TUBB4A P04350 5/20 0.39
TUBB P07437 5/20 0.39
TUBA3C P0DPH7 5/20 0.39
TUBA1B P68363 5/20 0.39
TUBA4A P68366 5/20 0.39
TUBB4B P68371 5/20 0.39
TUBB3 Q13509 5/20 0.39
TUBB2A Q13885 5/20 0.39
TUBB8 Q3ZCM7 5/20 0.39

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
SCHEMBL6288553 0.93 TUBB4A (0.38) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL6288523 0.91 TUBB4A (0.39) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL5619167 0.91 TP53 (0.37) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL5619722 0.91 TUBB4A (0.39) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL6288529 0.91 TUBB4A (0.43) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL6287012 0.91 POLB (0.38) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6291762 0.88 CRHR1 (0.42) HPGDHSD17B10ADORA3TUBB1TSHR
SCHEMBL6291396 0.87 TUBB4A (0.38) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8361772 0.87 TUBB4A (0.36) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL6286598 0.87 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1

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 SMN1; SMN2 553/4885ALDH1A1 1467/4885HPGD 324/4885

“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.