SCHEMBL5358375

SCHEMBL5358375

CC#CCn1c(N2CCCNCC2)nc2cnn(Cc3ncc(C#N)c4ccccc34)c(=O)c21

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.68
CHRM1 P11229 5/20 0.68
KCNH2 Q12809 4/20 0.53
FAP Q12884 2/20 0.48

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
SCHEMBL5364710 0.97 DPP4 (0.66) DPP4CHRM1KCNH2FAP
SCHEMBL8278516 0.93 DPP4 (0.68) DPP4CHRM1KCNH2FAP
SCHEMBL13485034 0.91 DPP4 (0.55) DPP4CHRM1KCNH2FAP
SCHEMBL8278517 0.89 DPP4 (0.66) DPP4CHRM1KCNH2FAP
SCHEMBL5359579 0.89 DPP4 (0.76) DPP4CHRM1KCNH2FAP
SCHEMBL13485021 0.88 DPP4 (0.53) DPP4CHRM1KCNH2
SCHEMBL5360470 0.85 DPP4 (0.76) DPP4CHRM1KCNH2FAP
SCHEMBL5354261 0.84 DPP4 (0.61) DPP4CHRM1KCNH2FAP
SCHEMBL5364520 0.84 DPP4 (0.65) DPP4CHRM1KCNH2FAP
SCHEMBL5354888 0.84 DPP4 (0.69) DPP4CHRM1KCNH2FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7667035-B2 Imidazole derivatives, their preparation and their use as intermediates for the preparation of pharmaceutical compositions and pesticides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-23 US disclosed
US-20090023920-A1 IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INTERMEDIATES FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS AND PESTICIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-22 US disclosed
US-7439370-B2 Imidazole derivatives, their preparation and their use as intermediates for the preparation of pharmaceutical compositions and pesticides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 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 (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-20090023920-A1 IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INTERMEDIATES FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS AND PESTICIDES CHRM1, CHRM2, CYP3A43 DPP4 774/4885CHRM1 1/4885KCNH2 106/4885

“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.