SCHEMBL1963290

SCHEMBL1963290

Fc1ccc(CN2C=Cc3[nH]c(-c4c(F)cccc4F)nc3C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.37
CSNK1E P49674 2/20 0.37
MAPK14 Q16539 2/20 0.37
CLPP Q16740 1/20 0.33
ADORA2B P29275 1/20 0.32
KDM4E B2RXH2 2/20 0.31
POLB P06746 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PTGES O14684 1/20 0.30
JAK2 O60674 1/20 0.30
CXCR2 P25025 1/20 0.30
NR4A2 P43354 1/20 0.30
KCNH2 Q12809 1/20 0.30
P2RX7 Q99572 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTR3A P46098 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
SCHEMBL1961658 0.92 CXCR2 (0.38) MAPK14CLPPADORA2BKDM4EPOLB
SCHEMBL1960667 0.88 CCR2 (0.38) CLPPPOLBMAPTPTGESJAK2
SCHEMBL1958832 0.86 ADORA2B (0.34) CSNK1DCSNK1EMAPK14ADORA2BKDM4E
SCHEMBL1959677 0.86 CYP11B1 (0.38) MAPK14CLPPKDM4EMAPT
SCHEMBL1960354 0.85 KDM4E (0.36) CSNK1DCSNK1EMAPK14CLPPADORA2B
SCHEMBL1959936 0.85 ADORA2B (0.32) CSNK1DCSNK1EMAPK14ADORA2B
SCHEMBL2345522 0.81 CLPP (0.30) CLPP
SCHEMBL1961662 0.80 ADORA2B (0.34) MAPK14CLPPADORA2BKDM4EPOLB
SCHEMBL1959767 0.80 CXCR2 (0.46) CLPPKDM4EPOLBGAACXCR2
SCHEMBL6414947 0.80 CLPP (0.38) CLPPPOLBNR4A2KCNH2ALDH1A1

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 CSNK1D 1741/4885CSNK1E 1105/4885MAPK14 1909/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE CSNK1D 455/4885CSNK1E 429/4885MAPK14 1747/4885

“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.