SCHEMBL6286872

SCHEMBL6286872

CCc1nc(C2CCCC2)n2nc(-c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)nc(Oc3cc(OC)c(OC)c(OC)c3)c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
PDE5A O76074 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SYK P43405 2/20 0.39
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PI4KB Q9UBF8 2/20 0.38
RAB9A P51151 2/20 0.37
THRB P10828 1/20 0.37
PI4KA P42356 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
SCHEMBL6291864 0.81 BRD4 (0.42) BRD4BRD2BRD3PDE5AKMT2A
SCHEMBL6288624 0.80 PDE5A (0.58) BRD4BRD2BRD3PDE5AKMT2A
SCHEMBL6288397 0.79 BRD4 (0.47) BRD4BRD2BRD3KMT2ALMNA
SCHEMBL6288541 0.75 ALDH1A1 (0.43) PDE5AKMT2ALMNAALDH1A1MAPK1
SCHEMBL6288422 0.74 BRD4 (0.47) BRD4BRD2BRD3PDE5AKMT2A
SCHEMBL6288417 0.72 PDE5A (0.55) BRD4BRD2BRD3PDE5AKMT2A
SCHEMBL6287171 0.71 SLC10A2 (0.43) BRD4KMT2ALMNAALDH1A1MAPK1
SCHEMBL6291403 0.67 PDE5A (0.55) BRD4BRD3PDE5AKMT2AALDH1A1
SCHEMBL5620926 0.65 TGFBR1 (0.48) LMNAALDH1A1MAPK1CNR1
SCHEMBL11919283 0.64 ALDH1A1 (0.68) BRD4BRD2BRD3KMT2ALMNA

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 2 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

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 BRD4 1636/4885BRD2 2054/4885BRD3 1904/4885

“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.