SCHEMBL1850430

SCHEMBL1850430

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 5/20 0.38
TSHR P16473 4/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 1/20 0.38
BACE1 P56817 1/20 0.37
USP30 Q70CQ3 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
JAK2 O60674 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CFD P00746 1/20 0.35
ESR1 P03372 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 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
SCHEMBL1850429 1.00 KMT2A (0.42) KMT2AMAPTALDH1A1KDM4ETSHR
SCHEMBL1851482 0.90 KDM4E (0.50) KMT2AMAPTALDH1A1KDM4ETSHR
SCHEMBL1851485 0.90 KDM4E (0.50) KMT2AMAPTALDH1A1KDM4ETSHR
SCHEMBL1853397 0.89 ALDH1A1 (0.40) KMT2AMAPTALDH1A1KDM4ETSHR
SCHEMBL1853394 0.89 ALDH1A1 (0.40) KMT2AMAPTALDH1A1KDM4ETSHR
SCHEMBL1854752 0.85 USP30 (0.47) KMT2AMAPTALDH1A1KDM4ETSHR
SCHEMBL1851649 0.85 USP30 (0.47) KMT2AMAPTALDH1A1KDM4ETSHR
SCHEMBL4277810 0.85 KMT2A (0.43) KMT2AMAPTALDH1A1KDM4ETSHR
SCHEMBL1856586 0.84 KMT2A (0.43) KMT2AMAPTALDH1A1KDM4ETSHR
SCHEMBL1855448 0.84 KMT2A (0.43) KMT2AMAPTALDH1A1KDM4ETSHR

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 4 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
EP-2097419-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS Exelixis, Inc. (US) 2009-09-09 EP disclosed
WO-2009086264-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS, INC. (US) 2009-07-09 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-20090247559-A1 Benzofuropyrimidinones F12, BRI3BP, BRD1 KMT2A 2152/4885MAPT 1941/4885ALDH1A1 315/4885

“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.