SCHEMBL6288637

SCHEMBL6288637

COc1ccc(CNc2nc(-c3ccc(OC)c(Cl)c3)nn3c(C)nc(C)c23)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 5/20 0.41
BCDIN3D Q7Z5W3 2/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CSNK1D P48730 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
THRB P10828 1/20 0.39
CLK4 Q9HAZ1 2/20 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
SCHEMBL6288676 0.84 CSNK1D (0.45) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL6291373 0.83 MAPT (0.46) KDM4EL3MBTL1MAPTTSHRMEN1
SCHEMBL6286594 0.81 KMT2A (0.48) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL6288610 0.79 ABCG2 (0.45) MAPTTP53MEN1KMT2APOLB
SCHEMBL6291366 0.78 EPHB4 (0.44) KMT2A
SCHEMBL6288423 0.77 ALOX15 (0.46) MAPTTP53MEN1KMT2APOLB
SCHEMBL6288409 0.77 ABCG2 (0.48) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL6288383 0.75 MEN1 (0.44) KDM4EALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL6291396 0.73 TUBB4A (0.38)
SCHEMBL6291820 0.72 TP53 (0.45) KDM4EALDH1A1HPGDTP53SMN1; SMN2

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 KDM4E 2229/4885ALDH1A1 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.