SCHEMBL20203568

SCHEMBL20203568

CC(C)c1ccc2c(n1)CCN(C(=O)[C@H]1C[C@H](O)CN1)C2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.39
FAP Q12884 6/20 0.39
DPP8 Q6V1X1 4/20 0.38
DPP9 Q86TI2 4/20 0.38
DPP7 Q9UHL4 4/20 0.38
HDAC2 Q92769 1/20 0.37
HSP90AA1 P07900 3/20 0.36
HSP90B1 P14625 1/20 0.36
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
CDK4 P11802 1/20 0.35
CDK2 P24941 1/20 0.35
CDK6 Q00534 1/20 0.35

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
SCHEMBL23733475 1.00 DPP4 (0.39) DPP4FAPDPP8DPP9DPP7
SCHEMBL20203569 0.84 CDK1 (0.40) HSP90AA1HSP90B1TLR9TLR8TLR7
SCHEMBL20203529 0.82 CDK1 (0.45) DPP4DPP8DPP9HSP90AA1HSP90B1
SCHEMBL23733474 0.82 CDK1 (0.45) DPP4DPP8DPP9HSP90AA1HSP90B1
SCHEMBL23733478 0.81 CDK1 (0.43) DPP4DPP8DPP9HSP90AA1HSP90B1
SCHEMBL20203643 0.79 HSP90AA1 (0.40) HSP90AA1HSP90B1CDK4CDK2CDK6
SCHEMBL23733483 0.79 CDK4 (0.35) HSP90AA1HSP90B1CDK4CDK2CDK6
SCHEMBL20203531 0.77 TLR9 (0.41) HSP90AA1HSP90B1TLR9TLR8TLR7
SCHEMBL20203431 0.77 KEAP1 (0.41) HSP90AA1HSP90B1TLR9TLR8TLR7
SCHEMBL20203457 0.77 GRM5 (0.49) HSP90AA1CDK4

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-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof TEIJIN PHARMA LIMITED (JP) 2021-08-10 US disclosed
WO-2018097297-A1 PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2018-05-31 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-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof CDK4, CDK6, CDK16 DPP4 316/4885FAP 1552/4885DPP8 416/4885

“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.