SCHEMBL5359407

SCHEMBL5359407

CCC#Cn1c(N2CCNCC2)nc2cnn(Cc3ccc(N)nc3)c(=O)c21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.45
CHRM1 P11229 5/20 0.45
TLR7 Q9NYK1 3/20 0.34
FAP Q12884 2/20 0.33
HTR3A P46098 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SOS1 Q07889 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
SCHEMBL13217441 0.87 DPP4 (0.47) DPP4CHRM1TLR7HTR3ASOS1
SCHEMBL5358065 0.86 DPP4 (0.47) DPP4CHRM1HTR3ASOS1
SCHEMBL5360445 0.86 DPP4 (0.47) DPP4CHRM1HTR3A
SCHEMBL5359418 0.85 DPP4 (0.62) DPP4CHRM1FAP
SCHEMBL5354935 0.84 DPP4 (0.47) DPP4CHRM1TLR7FAP
SCHEMBL5353926 0.83 DPP4 (0.43) DPP4CHRM1FAPUSP2ALDH1A1
SCHEMBL5359364 0.82 DPP4 (0.49) DPP4CHRM1FAPALDH1A1MAPK1
SCHEMBL5362098 0.80 DPP4 (0.45) DPP4CHRM1TLR7FAPALDH1A1
SCHEMBL5360456 0.80 DPP4 (0.46) DPP4CHRM1FAPHTR3A
SCHEMBL5354884 0.79 DPP4 (0.50) DPP4CHRM1FAPALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217711-B2 Piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-15 US claimed
US-20050171093-A1 New piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutial compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 US claimed
US-7217711-B2 Piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-15 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-20050171093-A1 New piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutial compositions DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 515/4885TLR7 3490/4885

“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.