SCHEMBL20249374

SCHEMBL20249374

CC(C)[C@H](N)C(=O)N1CCc2nc(C(C)(C)C)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 13/20 0.47
DPP8 Q6V1X1 11/20 0.47
DPP9 Q86TI2 11/20 0.47
DPP4 P27487 5/20 0.47
SLC6A15 Q9H2J7 1/20 0.37
ACE P12821 1/20 0.36
HCRTR2 O43614 1/20 0.36
SLC6A9 P48067 1/20 0.36

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
SCHEMBL20037472 0.82 DPP7 (0.49) DPP7DPP8DPP9DPP4SLC6A15
SCHEMBL21452248 0.82 ABL1 (0.42) HCRTR2
SCHEMBL22966521 0.82 ABL1 (0.42) HCRTR2
SCHEMBL28974312 0.82 NOTUM (0.39) SLC6A9
SCHEMBL18806154 0.81 NOTUM (0.41)
SCHEMBL20249388 0.79 PDGFRB (0.39)
SCHEMBL18819906 0.79 CDK6 (0.40)
SCHEMBL18806197 0.79 GABRG2 (0.48)
SCHEMBL22363433 0.76 NOTUM (0.49) DPP7DPP8DPP9DPP4SLC6A9
SCHEMBL20249401 0.76 KDM4E (0.52)

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 DPP7 590/4885DPP8 560/4885DPP9 423/4885

“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.