SCHEMBL20072472

SCHEMBL20072472

CCC(C)c1ncnc2ccsc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
PDE4B Q07343 3/20 0.40
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
HTR2C P28335 1/20 0.38
ADORA2A P29274 4/20 0.38
ADORA2B P29275 3/20 0.38
PIP4K2C Q8TBX8 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
PDE7A Q13946 2/20 0.35
EGFR P00533 2/20 0.35
FADS1 O60427 1/20 0.35
PDPK1 O15530 1/20 0.34
PARP1 P09874 1/20 0.34
ADORA1 P30542 3/20 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
SCHEMBL18924297 0.87 AXL (0.45) AXLMKNK1MKNK2PDE4BPDE4A
SCHEMBL6371631 0.82 AXL (0.53) AXLMKNK1MKNK2PDE4BPDE4A
SCHEMBL20072408 0.73 CHEK1 (0.47) AURKB
SCHEMBL13927867 0.73 PDE4B (0.39) AXLMKNK1MKNK2PDE4BPDE4A
SCHEMBL4572141 0.72 AXL (0.53) AXLMKNK1MKNK2PDE4BPDE4A
SCHEMBL24292896 0.71 AXL (0.49) AXLMKNK1MKNK2PDE4BPDE4A
SCHEMBL20115779 0.69 PI4KA (0.44) PDE4BPDE4APDE4CPDE4DADORA2A
SCHEMBL13955562 0.69 AXL (0.50) AXLMKNK1MKNK2PDE4BPDE4A
SCHEMBL424626 0.69 AXL (0.59) AXLMKNK1MKNK2PDE4BPDE4A
SCHEMBL20319103 0.68 AXL (0.49) AXLMKNK1MKNK2PDE4BPDE4A

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-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-18 US disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 US 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 (2 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-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof PHGDH, PGD, PGK1 AXL 2552/4885MKNK1 875/4885MKNK2 1332/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 AXL 2525/4885MKNK1 836/4885MKNK2 1237/4885

“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.