SCHEMBL21502004

SCHEMBL21502004

CCCc1cnn(CC(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
NAMPT P43490 1/20 0.34
KDM5B Q9UGL1 2/20 0.33
PDK2 Q15119 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KCNH2 Q12809 1/20 0.32
PDPK1 O15530 1/20 0.31
PIK3CA P42336 1/20 0.31
KDM5A P29375 1/20 0.30
SYK P43405 1/20 0.30
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
ABL1 P00519 1/20 0.30
BCR P11274 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL21502009 0.86 ACHE (0.33) ACHEL3MBTL1KCNH2
SCHEMBL11968682 0.85 ACHE (0.47) ACHENAMPTKDM5BPDK2PRMT5
SCHEMBL18083227 0.84 ACHE (0.37) ACHEL3MBTL1KCNH2NPC1RAB9A
SCHEMBL18858532 0.81 ACHE (0.47) ACHENAMPTKDM5BPDK2PRMT5
SCHEMBL12601973 0.80 GAA (0.40) ACHEL3MBTL1KCNH2
SCHEMBL21502012 0.80 L3MBTL1 (0.35) NAMPTKDM5BPRMT5WDR77L3MBTL1
SCHEMBL2410092 0.79 ACHE (0.46) ACHENAMPTKDM5BPDK2PRMT5
SCHEMBL18083219 0.79 L3MBTL1 (0.50) NAMPTKDM5BPRMT5WDR77MAPK1
SCHEMBL23139159 0.76 ACHE (0.44) ACHENAMPTKDM5BPDK2PRMT5
SCHEMBL18924370 0.76 ACHE (0.50) ACHENAMPTKDM5BPDK2PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 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 (4 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP ACHE 4657/4885NAMPT 14/4885KDM5B 254/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP ACHE 4657/4885NAMPT 14/4885KDM5B 254/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP ACHE 4657/4885NAMPT 14/4885KDM5B 254/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP ACHE 4657/4885NAMPT 14/4885KDM5B 254/4885

“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.