SCHEMBL20207271

SCHEMBL20207271

CO[C@H](C)c1cc2cnc(SC)nc2c(NC(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 2/20 0.34
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL20207236 1.00 HASPIN (0.34) HASPINKDM4E
SCHEMBL20255129 0.86 HASPIN (0.33) HASPIN
SCHEMBL23780374 0.85 HASPIN (0.32) HASPIN
SCHEMBL20037627 0.84 HASPIN (0.36) HASPIN
SCHEMBL25271256 0.84 HASPIN (0.36) HASPIN
SCHEMBL25228212 0.84 HASPIN (0.36) HASPIN
SCHEMBL30461026 0.84 HASPIN (0.36) HASPIN
SCHEMBL25225710 0.82 HASPIN (0.36) HASPINKDM4E
SCHEMBL20203577 0.80 HASPIN (0.36) HASPIN
SCHEMBL20037653 0.79 PKM (0.39)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3546456-B1 CRYSTAL OF PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE OR SOLVATE THEREOF TEIJIN PHARMA LTD (JP) 2022-01-12 EP disclosed
EP-3546456-B1 CRYSTAL OF PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE OR SOLVATE THEREOF TEIJIN PHARMA LTD (JP) 2022-01-12 EP disclosed
US-20210276997-A1 CRYSTAL OF PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE OR SOLVATE THEREOF TEIJIN PHARMA LIMITED (JP) 2021-09-09 US disclosed
EP-3546456-A1 CRYSTAL OF PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE OR SOLVATE THEREOF Teijin Pharma Limited (JP) 2019-10-02 EP disclosed
EP-3546456-A1 CRYSTAL OF PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE OR SOLVATE THEREOF Teijin Pharma Limited (JP) 2019-10-02 EP disclosed
WO-2018097295-A1 CRYSTAL OF PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE OR SOLVATE 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-20210276997-A1 CRYSTAL OF PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE OR SOLVATE THEREOF CDK6, CDK4, CDKL4 HASPIN 2031/4885KDM4E 181/4885

“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.