SCHEMBL5620165

SCHEMBL5620165

Cc1nc(C)n2nc(-c3ccc([N+](=O)[O-])cc3)nc(-n3cncn3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
XDH P47989 1/20 0.36
RAB9A P51151 6/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL5619982 0.88 AMY1A (0.45) CA12CA1CA2CA9RAB9A
SCHEMBL6288381 0.85 LMNA (0.34) ADORA3ADORA2ACA12CA1CA2
SCHEMBL5620144 0.83 AHR (0.36) ADORA3ADORA2ARAB9AALDH1A1NPC1
SCHEMBL6288657 0.81 SMN1; SMN2 (0.42) ADORA3ADORA2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL6288587 0.77 GRM7 (0.44) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL8361755 0.77 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8361757 0.77 CYP11B2 (0.32) ADORA2A
SCHEMBL5916392 0.76 PDE2A (0.36) HPGD
SCHEMBL6288392 0.75 NPC1 (0.43) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL6291399 0.75 POLB (0.37) RAB9AALDH1A1SMN1; SMN2NPC1MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202243-B2 Substituted imidazotriazines BAYER HEALTHCARE AG (DE) 2007-04-10 US disclosed
US-7202243-B2 Substituted imidazotriazines BAYER HEALTHCARE AG (DE) 2007-04-10 US disclosed
US-7202243-B2 Substituted imidazotriazines BAYER HEALTHCARE AG (DE) 2007-04-10 US disclosed
US-20060166993-A1 Substituted imidazotriazines BAYER HEALTHCARE AG (DE) 2006-07-27 US disclosed
EP-1599479-A1 SUBSTITUTED IMIDAZOTRIAZINES Bayer HealthCare AG (DE) 2005-11-30 EP disclosed
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
WO-2004005290-A1 SUBSTITUTED IMIDAZOTRIAZINES BAYER HEALTHCARE AG (DE) 2004-01-15 WO disclosed
WO-2004005290-A1 SUBSTITUTED IMIDAZOTRIAZINES BAYER HEALTHCARE AG (DE) 2004-01-15 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 (2 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-20060166993-A1 Substituted imidazotriazines SNCA, PARK7, TPMT ADORA3 1912/4885ADORA2A 1683/4885CA12 4203/4885
US-20040249148-A1 Imidazotriazines for use as phosphodiesterase inhibitors PDE3A, PDE2A, PDE4A ADORA3 545/4885ADORA2A 461/4885CA12 4313/4885

“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.