SCHEMBL8206752

SCHEMBL8206752

CN1Cc2cnc3nnc(N)n3c2C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.33
FAP Q12884 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL10306805 0.80 DPP4 (0.32) DPP4FAPDPP8
SCHEMBL8204010 0.77 DPP4 (0.47) DPP4FAPDPP8CYP2D6KCNH2
SCHEMBL8205832 0.70 KDM4E (0.36) DPP4FAPDPP8
SCHEMBL13026676 0.66 DPP4 (0.43) DPP4FAPDPP8
SCHEMBL17404757 0.62 NOS3 (0.50)
SCHEMBL10280071 0.61 PLK1 (0.37)
SCHEMBL17624119 0.59 HSP90AA1 (0.40) CYP2D6
SCHEMBL30866104 0.58 USP7 (0.45)
SCHEMBL15161215 0.57 DPP4 (0.36) DPP4
SCHEMBL13501681 0.57 CYP2C19 (0.51) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855206-B2 Tricyclic heteroaromatic compounds as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-12-21 US disclosed
US-20100056550-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
WO-2008060488-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2008-05-22 WO 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-20100056550-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885FAP 31/4885DPP8 5/4885

“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.