SCHEMBL3203102

SCHEMBL3203102

CC#CCn1c(N2CCCC(NC(=O)O)C2)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.79
CHRM1 P11229 7/20 0.79
FAP Q12884 2/20 0.56
POU2F2 P09086 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
POU2F1 P14859 1/20 0.56
CHRM3 P20309 1/20 0.56
HRH2 P25021 1/20 0.56
MC4R P32245 1/20 0.56
DPP8 Q6V1X1 1/20 0.56
DPP9 Q86TI2 1/20 0.56
GHSR Q92847 1/20 0.56

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
SCHEMBL3203078 1.00 DPP4 (0.79) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL13484972 0.92 DPP4 (0.71) DPP4CHRM1
SCHEMBL15478760 0.89 DPP4 (0.84) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL5841351 0.89 DPP4 (0.76) DPP4CHRM1
SCHEMBL196652 0.88 DPP4 (1.00) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL196653 0.88 DPP4 (1.00) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL29800971 0.88 DPP4 (1.00) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL5841827 0.87 DPP4 (0.79) DPP4CHRM1
SCHEMBL16370808 0.84 DPP4 (0.92) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL15393028 0.84 DPP4 (0.92) DPP4CHRM1FAPPOU2F2ADORA3

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 6 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-7109192-B2 Substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2006-09-19 US disclosed
US-20050261352-A1 Imidazole derivatives, their preparation and their use as intermediates for the preparation of pharmaceutical compositions and pesticides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US disclosed
US-20050020574-A1 New substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH CO. KG (DE) 2005-01-27 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 (3 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-20050020574-A1 New substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 552/4885FAP 32/4885
US-20050261352-A1 Imidazole derivatives, their preparation and their use as intermediates for the preparation of pharmaceutical compositions and pesticides CHRM1, CHRM2, CYP3A43 DPP4 774/4885CHRM1 1/4885FAP 3938/4885
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 1/4885FAP 3938/4885

“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.