SCHEMBL6288414

SCHEMBL6288414

COc1ccc(-c2nc(Nc3ccccc3Br)c3c(C)nc(C4CCCC4)n3n2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
TNK2 Q07912 4/20 0.40
ABCG2 Q9UNQ0 5/20 0.39
ABCB1 P08183 2/20 0.38
ABCC1 P33527 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EGFR P00533 1/20 0.38
MAPT P10636 2/20 0.38
PDE5A O76074 1/20 0.37

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
SCHEMBL6291841 0.86 MAPT (0.43) ALDH1A1KDM4EHPGDHIF1AMEN1
SCHEMBL6288424 0.85 ABCG2 (0.45) ALDH1A1KDM4EHPGDHIF1AMEN1
SCHEMBL6291840 0.85 ABCG2 (0.44) HPGDABCG2ABCB1ABCC1EGFR
SCHEMBL6288393 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHIF1AMEN1
SCHEMBL6288564 0.83 ABCG2 (0.43) ALDH1A1KDM4EHPGDHIF1AMEN1
SCHEMBL6291390 0.82 ABCG2 (0.51) ALDH1A1KDM4EHPGDHIF1AMEN1
SCHEMBL6291400 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHIF1AMEN1
SCHEMBL6291395 0.81 BCL6 (0.42) ALDH1A1KDM4EHPGDHIF1AMEN1
SCHEMBL6288433 0.78 MAPT (0.44) ALDH1A1KDM4EHPGDHIF1AMEN1
SCHEMBL14207219 0.78 BCL6 (0.40) 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 ALDH1A1 1467/4885KDM4E 2229/4885HPGD 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.