SCHEMBL2707231

SCHEMBL2707231

CC(C)c1ccc2c(=O)c3cc(C(C)C)ccc3[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.62
TBK1 Q9UHD2 2/20 0.54
AURKA O14965 1/20 0.54
DAPK3 O43293 1/20 0.54
JAK2 O60674 1/20 0.54
MAP4K4 O95819 1/20 0.54
PAK4 O96013 1/20 0.54
ABL1 P00519 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
CSF1R P07333 1/20 0.54
RET P07949 1/20 0.54
IGF1R P08069 1/20 0.54
FLT1 P17948 1/20 0.54
LTK P29376 1/20 0.54
KDR P35968 1/20 0.54
FLT3 P36888 1/20 0.54
MAPK8 P45983 1/20 0.54
MAPK9 P45984 1/20 0.54
CLK2 P49760 1/20 0.54

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
SCHEMBL19608621 0.93 KIF11 (0.56) KIF11TBK1AURKADAPK3JAK2
SCHEMBL14985632 0.91 MEN1 (0.62) KIF11TBK1AURKADAPK3JAK2
SCHEMBL9980170 0.91 MEN1 (0.58) KIF11TBK1AURKADAPK3JAK2
SCHEMBL12789481 0.88 KIF11 (0.65) KIF11KDM4EMEN1KMT2APOLB
SCHEMBL20055042 0.87 KIF11 (0.51) KIF11TBK1AURKADAPK3JAK2
SCHEMBL21376875 0.81 KIF11 (0.62) KIF11KDM4EEIF4A3MEN1KMT2A
SCHEMBL15981940 0.81 KIF11 (0.81) KIF11TBK1AURKADAPK3JAK2
SCHEMBL19608743 0.78 KIF11 (0.42) KIF11TBK1AURKADAPK3JAK2
SCHEMBL10892550 0.77 KIF11 (1.00) KIF11KDM4EEIF4A3MAPTALDH1A1
SCHEMBL16622748 0.76 POLB (0.56) KIF11TBK1AURKADAPK3JAK2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-8273341-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-09-25 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US 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 (7 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KIF11 2752/4885TBK1 119/4885AURKA 1630/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KIF11 2752/4885TBK1 119/4885AURKA 1630/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KIF11 2752/4885TBK1 119/4885AURKA 1630/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KIF11 2752/4885TBK1 119/4885AURKA 1630/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KIF11 2752/4885TBK1 119/4885AURKA 1630/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KIF11 2752/4885TBK1 119/4885AURKA 1630/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KIF11 2752/4885TBK1 119/4885AURKA 1630/4885

“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.