SCHEMBL4225063

SCHEMBL4225063

N#Cc1c(N2CCCC(N)C2)n(Cc2ccccc2)c2c(=O)n(Cc3ccnc4ccccc34)cnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
KCNH2 Q12809 3/20 0.79
CYP3A4 P08684 1/20 0.62

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
SCHEMBL4225060 1.00 DPP4 (1.00) DPP4KCNH2CYP3A4
Hydrochloric Acid SCHEMBL4221529 0.99 DPP4 (0.98) DPP4KCNH2CYP3A4
Hydrochloric Acid SCHEMBL4221525 0.99 DPP4 (0.98) DPP4KCNH2CYP3A4
SCHEMBL8236473 0.92 DPP4 (0.86) DPP4KCNH2CYP3A4
SCHEMBL8240528 0.92 DPP4 (0.86) DPP4KCNH2CYP3A4
SCHEMBL4218544 0.90 DPP4 (1.00) DPP4KCNH2CYP3A4
SCHEMBL4225198 0.90 DPP4 (1.00) DPP4KCNH2CYP3A4
SCHEMBL4218532 0.90 DPP4 (1.00) DPP4KCNH2CYP3A4
SCHEMBL4225154 0.89 DPP4 (1.00) DPP4KCNH2CYP3A4
SCHEMBL4230861 0.89 DPP4 (1.00) DPP4KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 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-20090192138-A1 COMPOUNDS DPP4, DPP3, DPP8 DPP4 1/4885KCNH2 1859/4885CYP3A4 239/4885

“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.