SCHEMBL1960328

SCHEMBL1960328

Fc1ccc(F)c(-c2nc3c([nH]2)C=CN(Cc2ccc(Br)cc2)C3)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRA2 P47869 1/20 0.34
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
PIM1 P11309 2/20 0.32
CSNK2A2 P19784 2/20 0.32
CSNK2B P67870 2/20 0.32
PIM3 Q86V86 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
CHRM5 P08912 1/20 0.32
CXCR3 P49682 1/20 0.32
AMY1A P0DUB6 3/20 0.32
TBXA2R P21731 1/20 0.32
CLPP Q16740 1/20 0.31
MAPK1 P28482 1/20 0.31
PRMT5 O14744 1/20 0.30
SLC9A1 P19634 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) GABRA1GABRA2CHRM5CLPP
SCHEMBL1959832 0.84 ACP1 (0.35) GABRA1GABRA2CHRM5AMY1A
SCHEMBL2343626 0.84 KDM4E (0.36) GABRA1GABRA2SLC9A1
SCHEMBL2345522 0.83 CLPP (0.30) CLPP
SCHEMBL2345294 0.81 CXCR2 (0.39) KDRCHRM5CLPPMAPK1
SCHEMBL1959224 0.81 CLPP (0.31) CLPP
SCHEMBL1961441 0.81 PTGES (0.40) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL1961668 0.80 AURKA (0.35) CLPPMAPK1
SCHEMBL1962298 0.80 CXCR2 (0.37) CHRM5CLPP
SCHEMBL1962134 0.79 CXCR2 (0.39) GABRA1GABRA2CLPP

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 8 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
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 GABRA1 3207/4885GABRA2 3798/4885KDR 2309/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE GABRA1 3893/4885GABRA2 4230/4885KDR 3821/4885

“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.