SCHEMBL1695345

SCHEMBL1695345

CCOC(=O)c1cc2c(F)cccc2nc1CNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ACACB O00763 2/20 0.39
ACACA Q13085 1/20 0.39
KDM4E B2RXH2 7/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4A O75164 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GRM2 Q14416 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
BRD4 O60885 1/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1694663 0.89 ACACB (0.42) ACACBACACAKDM4AMEN1KMT2A
SCHEMBL14827191 0.88 ACACB (0.42) ACACBACACAKDM4AMEN1KMT2A
SCHEMBL10147609 0.86 PARP1 (0.41) ACACBACACAKDM4AMEN1KMT2A
SCHEMBL24951562 0.81 KDM4E (0.47) SMN1; SMN2KDM4ENPSR1NPC1ALDH1A1
SCHEMBL31133550 0.81 KDM4E (0.47) SMN1; SMN2KDM4ENPSR1NPC1ALDH1A1
SCHEMBL1695142 0.80 ABCB1 (0.39) SMN1; SMN2KDM4ENPSR1MEN1KMT2A
SCHEMBL10147631 0.80 KDM4E (0.44) SMN1; SMN2KDM4ENPSR1NPC1GAA
SCHEMBL1694905 0.79 NQO2 (0.47) ACACBACACAKDM4ENPSR1MEN1
SCHEMBL10147613 0.79 KDM4A (0.38) ACACBACACAKDM4EKDM4AMEN1
SCHEMBL5861284 0.77 KDM4E (0.45) SMN1; SMN2KDM4ENPSR1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588467-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-04 US disclosed
US-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-04 US disclosed
WO-2012003274-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003274-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 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-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, BCL9 SMN1; SMN2 411/4885ACACB 2038/4885ACACA 2498/4885

“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.