SCHEMBL1961783

SCHEMBL1961783

Brc1ccc(CN2C=Cc3[nH]c(-c4cccc5ccccc45)nc3C2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
CLPP Q16740 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
CNR2 P34972 1/20 0.32
TDO2 P48775 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
PTGES O14684 1/20 0.31
BACE1 P56817 1/20 0.31
TNIK Q9UKE5 1/20 0.30
CHRM5 P08912 2/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL1958382 0.87 CXCR2 (0.38) CLPPMEN1KMT2ATDO2CA12
SCHEMBL1962298 0.86 CXCR2 (0.37) CLPPHTTTDO2CA12CA9
SCHEMBL1959940 0.81 ACHE (0.35) DRD4CLPPMEN1KMT2A
SCHEMBL1959852 0.81 HRH1 (0.38) CLPPMEN1HTTKMT2ACNR2
SCHEMBL1958963 0.80 OPRK1 (0.37) CLPPHTTKMT2A
SCHEMBL1959224 0.79 CLPP (0.31) CLPP
SCHEMBL1960328 0.79 GABRA1 (0.34) CLPPCHRM5KDR
SCHEMBL1958997 0.79 PTGES (0.39) HTTCNR2PTGESBACE1
SCHEMBL1959009 0.78 PTGES (0.39) KMT2APTGESKDR
SCHEMBL2344753 0.78 CHRNB4 (0.31) CLPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US claimed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP claimed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US claimed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US claimed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP claimed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 WO claimed
EP-2332938-B1 Viral inhibitors LEUVEN K U RES & DEV (BE) 2014-10-01 EP disclosed
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
EP-2332938-A1 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-06-15 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 DRD4 4499/4885FNTA 2549/4885FNTB 3345/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE DRD4 3771/4885FNTA 2198/4885FNTB 2900/4885

“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.