SCHEMBL5841525

SCHEMBL5841525

CC#CCn1c(SC)nc2ccn(Cc3ccccc3)c(=O)c21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.45
DHFR P00374 4/20 0.42
NPSR1 Q6W5P4 1/20 0.41
BRAF P15056 1/20 0.40
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39

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
SCHEMBL4068624 0.87 BRAF (0.51) DHFRNPSR1BRAFAGTR1AGTR2
SCHEMBL8353558 0.85 DHFR (0.45) DHFRNPSR1BRAFAGTR1AGTR2
SCHEMBL5842608 0.82 CYP1A2 (0.48) DPP4AGTR1AGTR2
SCHEMBL5840921 0.74 DPP4 (0.79) DPP4
SCHEMBL4066687 0.70 CYP2C19 (0.59) AGTR1AGTR2
SCHEMBL5841785 0.69 DPP4 (0.61) DPP4
SCHEMBL6380045 0.69 DPP4 (0.61) DPP4
SCHEMBL4245686 0.69 DPP4 (0.64) DPP4
SCHEMBL5025892 0.68 LMNA (0.66) DHFR
SCHEMBL8353570 0.68 CYP2C19 (0.53) AGTR1AGTR2

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-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-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 (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-20050020574-A1 New substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885DHFR 855/4885NPSR1 1342/4885

“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.