SCHEMBL1853608

SCHEMBL1853608

CC(C)(C)C1CN(c2ccc(C(=O)Nc3c(C(N)=O)oc4ccc(Br)cc34)cc2)CCN1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HPGD P15428 4/20 0.49
KMT2A Q03164 5/20 0.49
TSHR P16473 4/20 0.49
MEN1 O00255 4/20 0.49
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 5/20 0.41
MAPK10 P53779 3/20 0.41
TP53 P04637 3/20 0.41
AHR P35869 1/20 0.41
LMNA P02545 2/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL1849293 0.79 BACE1 (0.50) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL2451683 0.78 KMT2A (0.57) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL4420985 0.77 ALDH1A1 (0.45) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL4419482 0.77 ALDH1A1 (0.46) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL2453976 0.77 MAPT (0.48) ALDH1A1KMT2ATSHRMEN1HSD17B10
SCHEMBL1852416 0.74 HPGD (0.58) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL1851939 0.74 KMT2A (0.42) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL2459253 0.72 MCHR1 (0.52) KMT2AMEN1HSD17B10KDM4EMAPT
SCHEMBL4431903 0.72 ALDH1A1 (0.42) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL4128711 0.71 ALDH1A1 (0.46) ALDH1A1HPGDKMT2ATSHRMEN1

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 ALDH1A1 315/4885HPGD 2284/4885KMT2A 2152/4885

“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.