SCHEMBL6288422

SCHEMBL6288422

COc1ccc(-c2nc(-n3cncn3)c3c(C)nc(C4CCCC4)n3n2)cc1S(=O)(=O)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
BRD2 P25440 1/20 0.47
BRD3 Q15059 1/20 0.47
KMT2A Q03164 1/20 0.42
SYK P43405 2/20 0.40
PI4KB Q9UBF8 2/20 0.39
PI4KA P42356 1/20 0.39
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
PDE5A O76074 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 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
SCHEMBL6291864 0.92 BRD4 (0.42) BRD4BRD2BRD3KMT2ASYK
SCHEMBL6288398 0.85 ALDH1A1 (0.42) KMT2ALMNAHSD17B10ALDH1A1RAB9A
SCHEMBL6288397 0.80 BRD4 (0.47) BRD4BRD2BRD3KMT2ASYK
SCHEMBL6288417 0.79 PDE5A (0.55) BRD4BRD2BRD3KMT2ASYK
SCHEMBL6288531 0.78 PDE10A (0.37) KMT2ACNR1CNR2HSD17B10ALDH1A1
SCHEMBL6286872 0.74 BRD4 (0.43) BRD4BRD2BRD3KMT2ASYK
SCHEMBL6288624 0.72 PDE5A (0.58) BRD4BRD2BRD3KMT2ASYK
SCHEMBL6288587 0.70 GRM7 (0.44) BRD4LMNARAB9A
SCHEMBL6288550 0.69 GRM7 (0.41) KMT2A
SCHEMBL6291832 0.68 GRM7 (0.41) LMNAALDH1A1RAB9APOLB

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.