SCHEMBL6288424

SCHEMBL6288424

COc1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)nn3c(C4CCCC4)nc(C)c23)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.45
ABCB1 P08183 8/20 0.45
ABCC1 P33527 4/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HIF1A Q16665 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TNK2 Q07912 2/20 0.39
PLK1 P53350 1/20 0.39
JAK2 O60674 1/20 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
SCHEMBL6291395 0.94 BCL6 (0.42) ABCG2ABCB1ABCC1ALDH1A1KDM4E
SCHEMBL6288564 0.93 ABCG2 (0.43) ABCG2ABCB1ABCC1ALDH1A1KDM4E
SCHEMBL6288393 0.93 ALDH1A1 (0.42) ABCG2ABCB1ABCC1ALDH1A1KDM4E
SCHEMBL6291390 0.91 ABCG2 (0.51) ABCG2ABCB1ABCC1ALDH1A1KDM4E
SCHEMBL6291400 0.91 ALDH1A1 (0.41) ABCG2ABCB1ABCC1ALDH1A1KDM4E
SCHEMBL14207219 0.89 BCL6 (0.40) ABCG2ABCB1ABCC1ALDH1A1KDM4E
SCHEMBL6291841 0.87 MAPT (0.43) ALDH1A1KDM4EHPGDHIF1AMEN1
SCHEMBL6288414 0.85 ALDH1A1 (0.42) ABCG2ABCB1ABCC1ALDH1A1KDM4E
SCHEMBL6291858 0.85 MEN1 (0.40) ABCG2ABCB1ABCC1ALDH1A1KDM4E
SCHEMBL6288433 0.82 MAPT (0.44) ALDH1A1KDM4EHPGDHIF1AMEN1

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 ABCG2 1493/4885ABCB1 370/4885ABCC1 1697/4885

“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.