SCHEMBL2345294

SCHEMBL2345294

Brc1ccc(CN2C=Cc3[nH]c(-c4ccccc4Br)nc3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.39
CLPP Q16740 1/20 0.34
PTGES O14684 2/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
DCUN1D1 Q96GG9 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
MPI P34949 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
SCHEMBL1961441 0.90 PTGES (0.40) CXCR2PTGESKDM4EALDH1A1
SCHEMBL1958382 0.90 CXCR2 (0.38) CXCR2CLPPPTGESCA12CA9
SCHEMBL1962298 0.89 CXCR2 (0.37) CXCR2CLPPPTGESCA12CA9
SCHEMBL1961783 0.88 DRD4 (0.33) CLPPPTGESCA12CA9CHRM5
SCHEMBL1962577 0.86 MAPK13 (0.39) CXCR2CLPPNR1H2NR1H3KDM4E
SCHEMBL1958963 0.82 OPRK1 (0.37) CLPPKDM4EALDH1A1MAPTHPGD
SCHEMBL1959224 0.81 CLPP (0.31) CLPP
SCHEMBL1960328 0.81 GABRA1 (0.34) CLPPMAPK1CHRM5KDR
SCHEMBL1959940 0.81 ACHE (0.35) CLPPNR1H2NR1H3KDM4EALDH1A1
SCHEMBL1959852 0.81 HRH1 (0.38) CLPPDCUN1D1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP disclosed
US-7737162-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2010-06-15 US disclosed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US disclosed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US disclosed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP disclosed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 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 (2 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-20100004281-A1 VIRAL INHIBITORS ZC3HAV1, MAVS, HAVCR2 CXCR2 1642/4885CLPP 2023/4885PTGES 1940/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE CXCR2 1546/4885CLPP 1682/4885PTGES 2133/4885

“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.