SCHEMBL5364500

SCHEMBL5364500

CC#CCn1c(N2CCNCC2)nc2cnn(Cc3cc(C)ccn3)c(=O)c21

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.64
CHRM1 P11229 5/20 0.64
FAP Q12884 4/20 0.47
DPP9 Q86TI2 1/20 0.43

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
SCHEMBL5353951 0.97 DPP4 (0.66) DPP4CHRM1FAP
SCHEMBL2958745 0.88 DPP4 (0.68) DPP4CHRM1FAPDPP9
SCHEMBL5842458 0.85 DPP4 (0.68) DPP4CHRM1
SCHEMBL5354939 0.84 DPP4 (0.63) DPP4CHRM1FAP
SCHEMBL5353932 0.84 DPP4 (0.61) DPP4CHRM1FAP
SCHEMBL5362704 0.83 DPP4 (0.64) DPP4CHRM1FAP
SCHEMBL5364700 0.83 DPP4 (0.74) DPP4CHRM1FAP
SCHEMBL5358069 0.83 DPP4 (0.66) DPP4CHRM1FAP
SCHEMBL5370066 0.83 DPP4 (0.62) DPP4CHRM1FAP
SCHEMBL5359347 0.83 DPP4 (0.42) DPP4CHRM1FAP

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 2 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 disclosed
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 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 515/4885FAP 28/4885

“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.