SCHEMBL6288568

SCHEMBL6288568

Cc1nc(C)n2nc(-c3ccc(Br)cc3)nc(NCc3ccccn3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
PDE5A O76074 2/20 0.45
MAPT P10636 8/20 0.41
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 3/20 0.41
PIP4K2C Q8TBX8 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HIF1A Q16665 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
NPC1 O15118 1/20 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
SCHEMBL6291866 0.85 GSK3B (0.50) GSK3BPDE5AMAPTNPSR1RAB9A
SCHEMBL6288696 0.82 GSK3B (0.43) GSK3BPDE5AMAPTRAB9ALMNA
SCHEMBL6291831 0.80 MAPT (0.48) GSK3BPDE5AMAPTKDM4EALDH1A1
SCHEMBL6627740 0.79 GSK3B (0.44) GSK3BMAPTKDM4ERAB9AMAPK1
SCHEMBL6288538 0.79 MAPT (0.43) GSK3BPDE5AMAPTKDM4EALDH1A1
SCHEMBL6291373 0.77 MAPT (0.46) GSK3BMAPTKDM4ERAB9ATDP1
SCHEMBL6288383 0.75 MEN1 (0.44) GSK3BPDE5AMAPTKDM4EALDH1A1
SCHEMBL6288572 0.73 TSHR (0.46) PDE5AMAPTKDM4EALDH1A1NPSR1
SCHEMBL16775190 0.70 PDE5A (0.49) GSK3BPDE5AMAPTKDM4EALDH1A1
SCHEMBL387898 0.69 PTGS2 (0.51) PDE5AMAPTKDM4EALDH1A1RAB9A

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 2100/4885PDE5A 4/4885MAPT 1159/4885

“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.