SCHEMBL1850120

SCHEMBL1850120

CC(C)(C)OC(=O)N1CC=C[C@H]1C(=O)Nc1c(CN)oc2ccc(Br)cc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.40
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
TSHR P16473 3/20 0.35
USP30 Q70CQ3 2/20 0.34
FPR3 P25089 2/20 0.34
FPR2 P25090 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
EPHA2 P29317 1/20 0.33
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL1850119 1.00 BACE1 (0.40) BACE1KMT2AMAPTTSHRUSP30
SCHEMBL1854807 0.87 KMT2A (0.44) BACE1KMT2AMAPTTSHRUSP30
SCHEMBL1854809 0.87 KMT2A (0.44) BACE1KMT2AMAPTTSHRUSP30
SCHEMBL1850121 0.72 ALDH1A1 (0.36) BACE1USP30ALDH1A1HTT
SCHEMBL1854752 0.71 USP30 (0.47) BACE1KMT2AMAPTTSHRUSP30
SCHEMBL1851649 0.71 USP30 (0.47) BACE1KMT2AMAPTTSHRUSP30
SCHEMBL31239047 0.70 LMNA (0.52) KMT2ATSHRNPSR1ALDH1A1MEN1
SCHEMBL1851477 0.70 KMT2A (0.44) BACE1KMT2AMAPTTSHRUSP30
SCHEMBL1851819 0.70 USP30 (0.53) KMT2AMAPTTSHRUSP30FPR3
SCHEMBL1850141 0.70 USP30 (0.53) KMT2AMAPTTSHRUSP30FPR3

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
EP-2097419-B1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS INC (US) 2011-05-25 EP disclosed
US-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 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-20090247559-A1 Benzofuropyrimidinones F12, BRI3BP, BRD1 BACE1 3392/4885KMT2A 2152/4885MAPT 1941/4885

“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.