SCHEMBL6288541

SCHEMBL6288541

COc1ccc(-c2nc(Oc3cc(OC)c(OC)c(OC)c3)c3c(C)nc(C4CCCC4)n3n2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HIF1A Q16665 1/20 0.43
TNK2 Q07912 8/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CREBBP Q92793 1/20 0.39
ATM Q13315 1/20 0.38
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38

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
SCHEMBL6288529 0.84 TUBB4A (0.43) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6288393 0.82 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EHIF1ATNK2
SCHEMBL6291353 0.80 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EHIF1ATNK2
SCHEMBL6288651 0.78 TUBB4A (0.39) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6291841 0.78 MAPT (0.43) ALDH1A1HPGDKDM4EHIF1ATNK2
SCHEMBL6291400 0.78 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHIF1ATNK2
SCHEMBL6291413 0.77 TUBB4A (0.38) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6288424 0.77 ABCG2 (0.45) ALDH1A1HPGDKDM4EHIF1ATNK2
SCHEMBL6288564 0.77 ABCG2 (0.43) ALDH1A1HPGDKDM4EHIF1ATNK2
SCHEMBL6291396 0.77 TUBB4A (0.38) LMNATUBB4ATUBBTUBA3CTUBA1B

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 324/4885KDM4E 2229/4885

“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.