SCHEMBL6286598

SCHEMBL6286598

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.41
ADORA3 P0DMS8 2/20 0.37
ADORA1 P30542 2/20 0.37
TUBB4A P04350 5/20 0.36
TUBB P07437 5/20 0.36
TUBA3C P0DPH7 5/20 0.36
TUBA1B P68363 5/20 0.36
TUBA4A P68366 5/20 0.36
TUBB4B P68371 5/20 0.36
TUBB3 Q13509 5/20 0.36
TUBB2A Q13885 5/20 0.36
TUBB8 Q3ZCM7 5/20 0.36

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
SCHEMBL6287177 0.94 TUBB4A (0.36) ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E
SCHEMBL6288542 0.87 SMN1; SMN2 (0.44) ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E
SCHEMBL5916495 0.85 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10KDM4ETUBB4A
SCHEMBL6288627 0.84 LMNA (0.35) ALDH1A1SMN1; SMN2KDM4ETP53LMNA
SCHEMBL5916465 0.83 PDE2A (0.31) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL6291387 0.83 LMNA (0.35) ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E
SCHEMBL6291413 0.82 TUBB4A (0.38) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL6291842 0.82 TP53 (0.42) ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E
SCHEMBL6288651 0.81 TUBB4A (0.39) ALDH1A1HPGDSMN1; SMN2KDM4ENPC1
SCHEMBL6288553 0.81 TUBB4A (0.38) ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E

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 ALDH1A1 1467/4885HPGD 324/4885HSD17B10 3013/4885

“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.