SCHEMBL20203584

SCHEMBL20203584

CC(C)c1ccc2c(n1)CCN(C(=O)CN1CC[C@H](O)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 13/20 0.41
TLR8 Q9NR97 13/20 0.41
TLR7 Q9NYK1 13/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.36
CDK4 P11802 3/20 0.35
CDK2 P24941 3/20 0.35
CDK6 Q00534 3/20 0.35
CDK1 P06493 2/20 0.35
CDK7 P50613 2/20 0.35
CDK9 P50750 2/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
ENPP2 Q13822 1/20 0.35
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL23733461 1.00 TLR9 (0.41) TLR9TLR8TLR7KDM4EMEN1
SCHEMBL20203605 0.94 KDM4E (0.43) TLR9TLR8TLR7KDM4EMEN1
SCHEMBL20203586 0.93 ALDH1A1 (0.37) TLR9TLR8TLR7KDM4EMEN1
SCHEMBL20203583 0.90 KDM4E (0.39) TLR9TLR8TLR7KDM4EMEN1
SCHEMBL21414372 0.87 KDM4E (0.37) KDM4EMEN1CDK4CDK2CDK6
SCHEMBL20203606 0.85 CDK4 (0.38) TLR9TLR8TLR7KDM4EMEN1
SCHEMBL20203582 0.85 KDR (0.40) KDM4EMEN1CDK4CDK2CDK6
SCHEMBL23733468 0.85 NPC1 (0.42) KDM4ECDK4CDK2CDK6CDK1
SCHEMBL23733460 0.84 KDM4E (0.40) TLR9TLR8TLR7KDM4EMEN1
SCHEMBL23733458 0.84 KDM4E (0.40) TLR9TLR8TLR7KDM4EMEN1

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 TLR9 1479/4885TLR8 2089/4885TLR7 834/4885

“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.