SCHEMBL5620144

SCHEMBL5620144

Cc1nc(C)n2nc(-c3ccc(Br)cc3)nc(-n3cncn3)c12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 7/20 0.36
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX5AP P20292 2/20 0.32
GSK3B P49841 1/20 0.32
CYP11B2 P19099 1/20 0.32
PDE2A O00408 2/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL6288381 0.90 LMNA (0.34) AHRNR1H2NR1H3ADORA3ADORA2A
SCHEMBL6288657 0.86 SMN1; SMN2 (0.42) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL8361756 0.84 ALOX5AP (0.36) KDM4EALDH1A1ALOX5APGSK3B
SCHEMBL5620165 0.83 ADORA3 (0.38) ADORA3ADORA2AKDM4EALDH1A1LMNA
SCHEMBL5916362 0.82 KCNJ5 (0.35) KDM4EALDH1A1ALOX5APGSK3B
SCHEMBL6288587 0.82 GRM7 (0.44) LMNAMAPTNPC1RAB9A
SCHEMBL8361755 0.81 ALDH1A1 (0.45) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8361757 0.81 CYP11B2 (0.32) ADORA2AADORA1GSK3BCYP11B2PDE2A
SCHEMBL5916392 0.80 PDE2A (0.36) HPGDGSK3BPDE2A
SCHEMBL6288392 0.79 NPC1 (0.43) KDM4EALDH1A1LMNAMAPTHPGD

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 AHR 142/4885NR1H2 4323/4885NR1H3 4388/4885
US-20040249148-A1 Imidazotriazines for use as phosphodiesterase inhibitors PDE3A, PDE2A, PDE4A AHR 1826/4885NR1H2 4267/4885NR1H3 4542/4885

“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.