SCHEMBL3304080

SCHEMBL3304080

FC(F)(F)c1ccc(Nc2nc3ccnc(CC4CCN(Cc5ccccc5)CC4)n3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
ACHE P22303 4/20 0.44
BCHE P06276 3/20 0.44
BACE1 P56817 3/20 0.44
CHRM4 P08173 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRM2 P08172 2/20 0.42
SIGMAR1 Q99720 3/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CHRM1 P11229 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL13504465 0.88 BCHE (0.45) HIF1AEPAS1ACHEBCHEBACE1
SCHEMBL3299889 0.82 IKBKB (0.44)
SCHEMBL3304835 0.82 IKBKB (0.38) HIF1AEPAS1TRPV1
SCHEMBL3301144 0.81 KCNH2 (0.37)
SCHEMBL3306004 0.78 JAK2 (0.46) HIF1AEPAS1TRPV1
SCHEMBL3305832 0.78 IKBKB (0.47) BACE1TRPV1HTR2A
SCHEMBL3302797 0.76 FAAH (0.41) HIF1AEPAS1ACHESIGMAR1TRPV1
SCHEMBL14353746 0.76 PIM1 (0.40)
SCHEMBL3300600 0.76 FAAH (0.41) SMN1; SMN2
SCHEMBL2144762 0.75 JAK2 (0.41) HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 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-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 HIF1A 847/4885EPAS1 959/4885ACHE 1943/4885

“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.