SCHEMBL21099211

SCHEMBL21099211

CC(C)(C)OC(=O)N1CCN(c2c(N)cnc3cc(Br)c(Cl)cc23)[C@@H](CCl)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
GPR119 Q8TDV5 11/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
EPHA2 P29317 2/20 0.33
ERBB2 P04626 1/20 0.33
EPHB4 P54760 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL21099607 0.88 MET (0.39) GPR119IDO1TDO2
SCHEMBL21050917 0.88 SMARCA2 (0.38) SMARCA2SMARCA4PBRM1GPR119IDO1
SCHEMBL21050985 0.86 MDM2 (0.33)
SCHEMBL21136722 0.82 MAP4K4 (0.42) SMARCA2SMARCA4PBRM1GPR119POLB
SCHEMBL21099361 0.82 MET (0.39) GPR119IDO1TDO2
SCHEMBL21137316 0.82 MET (0.39) GPR119IDO1TDO2
SCHEMBL21099203 0.82 MET (0.39) GPR119IDO1TDO2
SCHEMBL21136721 0.81
SCHEMBL21099612 0.79 KRAS (0.50) SMARCA2SMARCA4PBRM1GPR119IDO1
SCHEMBL21099365 0.78 KRAS (0.49) GPR119IDO1TDO2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 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 (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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 SMARCA2 2068/4885SMARCA4 1478/4885PBRM1 2150/4885

“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.