SCHEMBL16201119

SCHEMBL16201119

CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nc3c(N)csc3c(=O)n2Cc2ccccc2C#N)C1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.61
CYP3A4 P08684 4/20 0.49

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
SCHEMBL16204154 0.94 DPP4 (0.61) DPP4CYP3A4
SCHEMBL20407972 0.94 DPP4 (0.61) DPP4CYP3A4
SCHEMBL16201104 0.92 DPP4 (0.70) DPP4CYP3A4
SCHEMBL16201117 0.92 DPP4 (0.60) DPP4CYP3A4
SCHEMBL16201102 0.92 DPP4 (0.62) DPP4CYP3A4
SCHEMBL20407971 0.92 DPP4 (0.59) DPP4CYP3A4
SCHEMBL16201126 0.92 DPP4 (0.59) DPP4CYP3A4
SCHEMBL16201120 0.92 DPP4 (0.59) DPP4CYP3A4
SCHEMBL16152618 0.92 DPP4 (0.59) DPP4CYP3A4
SCHEMBL16201103 0.92 DPP4 (0.59) DPP4CYP3A4

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-9045491-B2 Thienyl [3,2-D] pyrimidin-4-one compounds, preparation method, pharmaceutical compositions and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-06-02 US disclosed
US-9045491-B2 Thienyl [3,2-D] pyrimidin-4-one compounds, preparation method, pharmaceutical compositions and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-06-02 US disclosed
US-20140323466-A1 THIENYL [3,2-D] PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-30 US disclosed
US-20140323466-A1 THIENYL [3,2-D] PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-30 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-20140323466-A1 THIENYL [3,2-D] PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF DPP4, DPP7, DPP3 DPP4 1/4885CYP3A4 391/4885

“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.