SCHEMBL20203565

SCHEMBL20203565

CC(C)c1ccc2c(n1)CCN(C(=O)C1CNCCO1)C2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
SSTR4 P31391 2/20 0.37
REN P00797 5/20 0.37
HSP90AA1 P07900 5/20 0.35
HSP90B1 P14625 1/20 0.35
GRM5 P41594 2/20 0.35
ENPP2 Q13822 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
SCHEMBL21414397 0.84 GABRG2 (0.44) GABRG2GABRB3GABRA5SSTR4REN
SCHEMBL20203531 0.82 TLR9 (0.41) GABRG2GABRB3GABRA5HSP90AA1HSP90B1
SCHEMBL23733451 0.80 KEAP1 (0.40) GABRG2GABRB3GABRA5HSP90AA1GRM5
SCHEMBL20203431 0.80 KEAP1 (0.41) GABRG2GABRB3GABRA5HSP90AA1HSP90B1
SCHEMBL20203569 0.78 CDK1 (0.40) GABRG2GABRB3GABRA5HSP90AA1HSP90B1
SCHEMBL20203529 0.76 CDK1 (0.45) HSP90AA1HSP90B1
SCHEMBL23733474 0.76 CDK1 (0.45) HSP90AA1HSP90B1
SCHEMBL23733478 0.75 CDK1 (0.43) HSP90AA1HSP90B1
SCHEMBL23733475 0.75 DPP4 (0.39) HSP90AA1HSP90B1
SCHEMBL20203568 0.75 DPP4 (0.39) HSP90AA1HSP90B1

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 GABRG2 4149/4885GABRB3 4474/4885GABRA5 4019/4885

“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.