SCHEMBL1959936

SCHEMBL1959936

Fc1cc(F)c(CN2C=Cc3[nH]c(-c4c(F)cccc4F)nc3C2)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
MAPK14 Q16539 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
SCHEMBL1958832 0.93 ADORA2B (0.34) ADORA2BCSNK1DCSNK1EMAPK14
SCHEMBL1960354 0.86 KDM4E (0.36) ADORA2BCSNK1DCSNK1EMAPK14
SCHEMBL1963290 0.85 CSNK1D (0.37) ADORA2BCSNK1DCSNK1EMAPK14
SCHEMBL1961658 0.83 CXCR2 (0.38) ADORA2BMAPK14
SCHEMBL1958047 0.81 GRIN2B (0.42) ADORA2BMAPK14
SCHEMBL1960667 0.80 CCR2 (0.38)
SCHEMBL1961662 0.77 ADORA2B (0.34) ADORA2BMAPK14
SCHEMBL1961173 0.76 KDM4E (0.35)
SCHEMBL16628722 0.75 GRIN2B (0.36) MAPK14
SCHEMBL1961792 0.74 KCNK3 (0.38) ADORA2BMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADORA2B 2477/4885CSNK1D 1741/4885CSNK1E 1105/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE ADORA2B 2086/4885CSNK1D 455/4885CSNK1E 429/4885

“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.