SCHEMBL6288696

SCHEMBL6288696

Cc1nc(C)n2nc(-c3ccc(Br)cc3)nc(NCc3ccncc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.43
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PDE5A O76074 1/20 0.38
PTGS1 P23219 1/20 0.38
TBXAS1 P24557 1/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.38
F2 P00734 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KLKB1 P03952 2/20 0.37
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL6291866 0.90 GSK3B (0.50) GSK3BPDE5APTGS1TBXAS1PTGS2
SCHEMBL6288538 0.88 MAPT (0.43) GSK3BPDE5ALMNAPOLBF2
SCHEMBL6627740 0.88 GSK3B (0.44) GSK3BLMNAPOLBF2RAB9A
SCHEMBL6291831 0.87 MAPT (0.48) GSK3BPDE5ALMNAPOLBTP53
SCHEMBL6291373 0.86 MAPT (0.46) GSK3BLMNAPOLBF2RAB9A
SCHEMBL6288568 0.82 GSK3B (0.47) GSK3BPDE5ALMNARAB9AL3MBTL1
SCHEMBL6288383 0.81 MEN1 (0.44) GSK3BPDE5ALMNAMAPT
SCHEMBL6288572 0.80 TSHR (0.46) PDE5ALMNARAB9AL3MBTL1TP53
SCHEMBL5619875 0.69 EGFR (0.45) CDK2MAPT
SCHEMBL5620144 0.67 AHR (0.36) GSK3BADORA2AADORA1LMNARAB9A

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 GSK3B 2100/4885ADORA2A 461/4885ADORA1 687/4885

“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.