SCHEMBL5360460

SCHEMBL5360460

CC#CCn1c(N2CCNCC2)nc2cnn(Cc3cccc(F)n3)c(=O)c21

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.65
CHRM1 P11229 5/20 0.65
FAP Q12884 4/20 0.51

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
Trifluoroacetic Acid SCHEMBL2964662 0.94 DPP4 (0.60) DPP4CHRM1FAP
SCHEMBL13217593 0.88 DPP4 (0.49) DPP4CHRM1FAP
SCHEMBL2958745 0.87 DPP4 (0.68) DPP4CHRM1FAP
SCHEMBL5359349 0.85 DPP4 (0.60) DPP4CHRM1FAP
SCHEMBL6381749 0.84 DPP4 (0.75) DPP4CHRM1FAP
SCHEMBL5360456 0.84 DPP4 (0.46) DPP4CHRM1FAP
SCHEMBL5362704 0.84 DPP4 (0.64) DPP4CHRM1FAP
SCHEMBL5354939 0.83 DPP4 (0.63) DPP4CHRM1FAP
SCHEMBL5362104 0.83 DPP4 (0.63) DPP4CHRM1FAP
SCHEMBL5353932 0.83 DPP4 (0.61) 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 5 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-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
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 (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-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
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 DPP4 1/4885CHRM1 43/4885FAP 3205/4885

“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.