SCHEMBL16891612

SCHEMBL16891612

CCc1cccc2ccc(N3CCOCC3)nc12

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.63
▸ SHMT2 P34897 4/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ PIM2 Q9P1W9 1/20 0.47
▸ HTR3A P46098 1/20 0.46
▸ ATR Q13535 1/20 0.44
▸ ATRIP Q8WXE1 1/20 0.44
▸ PIK3CB P42338 3/20 0.44
▸ PIK3CA P42336 2/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ PRMT5 O14744 1/20 0.43
▸ WDR77 Q9BQA1 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CG P48736 1/20 0.41

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
SCHEMBL15830277 0.81 GAA (0.68) GAAPIM1PIM2HTR3AATR
SCHEMBL28722866 0.78 GAA (0.68) GAAPIM1PIM2HTR3AATR
SCHEMBL1041841 0.78 GAA (1.00) GAAPIM1PIM2HTR3AATR
SCHEMBL28187656 0.78 GAA (0.68) GAAPIM1PIM2HTR3AATR
SCHEMBL29495981 0.78 GAA (0.68) GAAPIM1PIM2HTR3AATR
SCHEMBL15935202 0.77 GAA (0.63) GAASHMT2PIM1PIM2HTR3A
SCHEMBL29495731 0.76 GAA (0.52) GAASHMT2PIM1PIM2HTR3A
SCHEMBL22969615 0.76 GAA (0.52) GAASHMT2PIM1PIM2HTR3A
SCHEMBL20252450 0.75 GAA (0.60) GAASHMT2PIM1PIM2HTR3A
SCHEMBL20340591 0.75 GAA (0.60) GAAPIM1PIM2ATRATRIP

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-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 — — US disclosed
US-20150191432-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-07-09 — — 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-20150191432-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 GAA 2270/4885SHMT2 110/4885PIM1 178/4885
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 GAA 3363/4885SHMT2 102/4885PIM1 266/4885

“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.

Send feedback