SCHEMBL21403201

SCHEMBL21403201

CC(OC(=O)c1ccccc1)c1cc2cnc([S+](C)[O-])nc2c(-c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
NPC1 O15118 6/20 0.33
RAB9A P51151 5/20 0.33
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
GABRA5 P31644 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 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
SCHEMBL20203398 1.00 PDCD1 (0.36) PDCD1CD274NPC1RAB9AALDH1A1
SCHEMBL20037707 0.85 NPSR1 (0.35) PDCD1CD274NPC1RAB9AALDH1A1
SCHEMBL23733434 0.85 NPC1 (0.33) PDCD1CD274NPC1RAB9AALDH1A1
SCHEMBL23733435 0.85 MEN1 (0.35) NPC1RAB9AALDH1A1LMNAMAPK1
SCHEMBL26180774 0.84 PKM (0.36) PDCD1CD274NPC1RAB9AALDH1A1
SCHEMBL20203415 0.83 LMNA (0.33) NPC1RAB9ALMNATP53TSHR
SCHEMBL28942020 0.82 KMT2A (0.37) NPC1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL20203496 0.82 TP53 (0.44) PDCD1CD274LMNAMAPTTP53
SCHEMBL21403227 0.81 AKT1 (0.34) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL20203512 0.81 AKT1 (0.34) NPC1RAB9AALDH1A1SMN1; SMN2LMNA

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 3 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
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

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 PDCD1 222/4885CD274 788/4885NPC1 3303/4885

“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.