SCHEMBL1853039

SCHEMBL1853039

CC(C(=O)Nc1c(C(N)=O)oc2ccc(Br)cc12)N1CC[C@H](O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 3/20 0.41
TSHR P16473 4/20 0.41
AAK1 Q2M2I8 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
CDC7 O00311 2/20 0.39
PIM1 P11309 2/20 0.39
CSNK2A2 P19784 2/20 0.39
CSNK2B P67870 2/20 0.39
CSNK2A1 P68400 2/20 0.39
PIM3 Q86V86 2/20 0.39

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
SCHEMBL13650759 0.84 ALDH1A1 (0.51) KMT2AMAPTNPC1RAB9AKDM4E
SCHEMBL1852360 0.79 KMT2A (0.47) KMT2AMAPTNPC1RAB9AKDM4E
SCHEMBL1857370 0.78 KMT2A (0.54) KMT2AMAPTNPC1RAB9AKDM4E
SCHEMBL1849131 0.77 KDM4E (0.54) KMT2AMAPTNPC1RAB9AKDM4E
SCHEMBL1852593 0.76 KMT2A (0.53) KMT2AMAPTNPC1RAB9AKDM4E
SCHEMBL1851522 0.73 MAPT (0.57) KMT2AMAPTNPC1RAB9AKDM4E
SCHEMBL1852526 0.73 CYP3A4 (0.48) KMT2AMAPTNPC1RAB9AKDM4E
SCHEMBL4277750 0.72 ALDH1A1 (0.51) KMT2AMAPTNPC1RAB9AKDM4E
SCHEMBL4128711 0.71 ALDH1A1 (0.46) KMT2AMAPTNPC1RAB9AKDM4E
SCHEMBL4272956 0.71 KMT2A (0.48) KMT2AMAPTNPC1RAB9AKDM4E

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 6 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
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
US-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 US disclosed
US-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 US 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 1941/4885NPC1 2168/4885

“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.