SCHEMBL21502012

SCHEMBL21502012

CCCc1cnn(CCCC(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
NAMPT P43490 3/20 0.34
KCNH2 Q12809 1/20 0.34
CPB1 P15086 2/20 0.32
CPB2 Q96IY4 2/20 0.32
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL17000243 0.83 L3MBTL1 (0.44) L3MBTL1NAMPTKCNH2KDM5BPRMT5
SCHEMBL19934576 0.82 NAMPT (0.40) NAMPTKCNH2CPB1CPB2KDM5B
SCHEMBL18083219 0.81 L3MBTL1 (0.50) L3MBTL1NAMPTKCNH2KDM5BPRMT5
SCHEMBL25123774 0.81 NAMPT (0.34) L3MBTL1NAMPTJAK2JAK1JAK3
SCHEMBL16805456 0.80 NAMPT (0.40) L3MBTL1NAMPTKCNH2CPB1CPB2
SCHEMBL21502004 0.80 ACHE (0.45) L3MBTL1NAMPTKCNH2KDM5BPRMT5
SCHEMBL23634159 0.78 NAMPT (0.33) NAMPTCPB1CPB2
SCHEMBL13181029 0.76 ADORA2A (0.47) L3MBTL1NAMPT
SCHEMBL24973473 0.76 KCNH2 (0.36) L3MBTL1KCNH2JAK3
SCHEMBL23278255 0.76 LMNA (0.38) L3MBTL1NAMPTJAK2JAK1JAK3

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-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 (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-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP L3MBTL1 4437/4885NAMPT 14/4885KCNH2 4273/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP L3MBTL1 4437/4885NAMPT 14/4885KCNH2 4273/4885

“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.