SCHEMBL17623866

SCHEMBL17623866

COc1ncnc2c1CN(C)C2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.38
CHRM3 P20309 1/20 0.37
ALDH1A1 P00352 2/20 0.35
PIK3CD O00329 2/20 0.31
PIK3CA P42336 2/20 0.31
AXL P30530 1/20 0.31
ACHE P22303 1/20 0.30
BACE1 P56817 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
SCHEMBL19498174 0.79 PDPK1 (0.34) PDPK1ALDH1A1PIK3CDPIK3CA
SCHEMBL15958444 0.74 PIK3CA (0.31) PIK3CA
SCHEMBL17624116 0.70 CHRM3 (0.35) CHRM3ALDH1A1
SCHEMBL17623865 0.69 CHRM3 (0.37) CHRM3
SCHEMBL322784 0.69 CHRM3 (0.45) PDPK1CHRM3ALDH1A1
SCHEMBL17624438 0.68 HTR2A (0.41) ALDH1A1
SCHEMBL18756130 0.67 CHRM3 (0.49) PDPK1CHRM3ALDH1A1
SCHEMBL6764925 0.66 CHRM3 (0.41) PDPK1CHRM3ALDH1A1
SCHEMBL321867 0.65 PIK3CD (0.60) PIK3CDPIK3CA
SCHEMBL19563045 0.63 HTT (0.41) ALDH1A1

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-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-26 US disclosed
WO-2016044604-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 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-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, PRMT1 PDPK1 1629/4885CHRM3 2332/4885ALDH1A1 1286/4885

“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.