SCHEMBL20203532

SCHEMBL20203532

CSc1ncc2cc(C=O)nc(N3CCCCC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.35
NPY5R Q15761 1/20 0.34
HASPIN Q8TF76 2/20 0.34
FGFR4 P22455 2/20 0.32
SLC29A1 Q99808 1/20 0.32
LMNA P02545 1/20 0.32
NOS1 P29475 3/20 0.32
PDE9A O76083 1/20 0.32
PDE4B Q07343 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL20203522 0.79 MEN1 (0.47) MEN1KMT2AALDH1A1NPY5RHASPIN
SCHEMBL20203405 0.78 MEN1 (0.40) MEN1KMT2AALDH1A1NPY5RHASPIN
SCHEMBL20203385 0.78 MEN1 (0.46) MEN1KMT2AALDH1A1NPY5RHASPIN
SCHEMBL29576087 0.78 MEN1 (0.40) MEN1KMT2AALDH1A1NPY5RHASPIN
SCHEMBL25228181 0.78 MEN1 (0.40) MEN1KMT2AALDH1A1NPY5RHASPIN
SCHEMBL20203441 0.76 MEN1 (0.50) MEN1KMT2APDE4B
SCHEMBL22876970 0.75 MEN1 (0.41) MEN1KMT2AALDH1A1NPY5RHASPIN
SCHEMBL19491703 0.74 MEN1 (0.46) MEN1KMT2AALDH1A1NPY5RHASPIN
SCHEMBL30461048 0.74 HASPIN (0.39) MEN1KMT2AALDH1A1HASPINLMNA
SCHEMBL16094703 0.74 MEN1 (0.52) MEN1KMT2AALDH1A1NPY5RLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110036012-B Pyrido [3,4-d ] pyrimidine derivatives and pharmaceutically acceptable salts thereof 帝人制药株式会社 2022-05-10 CN disclosed
US-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof TEIJIN PHARMA LIMITED (JP) 2021-08-10 US disclosed
US-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof TEIJIN PHARMA LIMITED (JP) 2021-08-10 US disclosed
EP-3546458-B1 ((PYRIDIN-2-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE AND ((PYRIDAZIN-3-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES AS CDK4/6 INHIBITORS FOR TREATING E.G. RHEUMATOID ARTHRITIS, ARTERIOSCLEROSIS, PULMONARY FIBROSIS, CEREBRAL INFARCTION OR CANCER TEIJIN PHARMA LTD (JP) 2021-01-06 EP disclosed
EP-3546458-B1 ((PYRIDIN-2-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE AND ((PYRIDAZIN-3-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES AS CDK4/6 INHIBITORS FOR TREATING E.G. RHEUMATOID ARTHRITIS, ARTERIOSCLEROSIS, PULMONARY FIBROSIS, CEREBRAL INFARCTION OR CANCER TEIJIN PHARMA LTD (JP) 2021-01-06 EP disclosed
EP-3546458-A1 PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2019-10-02 EP disclosed
EP-3546458-A1 PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2019-10-02 EP 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 MEN1 2438/4885KMT2A 657/4885ALDH1A1 964/4885

“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.