SCHEMBL4679891

SCHEMBL4679891

CC(C)(C)[Si](C)(C)OCCCC(=NN)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PPARA Q07869 4/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
PPARG P37231 3/20 0.31

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
SCHEMBL1928721 0.78 TDP1 (0.51) DUTL3MBTL1GAAMAPTTDP1
SCHEMBL13315401 0.72 HDAC1 (0.47) DUTMAPTPPARA
SCHEMBL4008271 0.72 HDAC1 (0.47) DUTMAPTPPARA
SCHEMBL4008275 0.72 HDAC1 (0.47) DUTMAPTPPARA
SCHEMBL9433444 0.72 L3MBTL1 (0.46) L3MBTL1GAAMAPTTDP1
SCHEMBL4156053 0.72 SLC6A4 (0.37) DUTATMTDP1
SCHEMBL9049258 0.72 GAA (0.39) L3MBTL1GAAMAPTATM
SCHEMBL25893279 0.71 TDP1 (0.65) L3MBTL1TDP1
SCHEMBL21174515 0.70 DUT (0.39) DUTMAPTPPARA
SCHEMBL2252126 0.69 IDO1 (0.53) DUTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180334441-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2018-11-22 US disclosed
US-10017482-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2018-07-10 US disclosed
US-20170066733-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2017-03-09 US disclosed
US-9499503-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2016-11-22 US disclosed
US-9102639-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2015-08-11 US disclosed
US-20150210658-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2015-07-30 US disclosed
US-8623895-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2014-01-07 US disclosed
US-20120270803-A1 Mitotic Kinesin Inhibitors and Methods of Use Thereof ARRAY BIOPHARMA, INC. 2012-10-25 US disclosed
US-8236825-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-08-07 US disclosed
US-7449486-B2 Antiproliferative agents; anticancer agents; autoimmune disease; antiarthritic agents; graft versus host disease; inflammatory bowel disorders ARRAY BIOPHARMA INC. (US) 2008-11-11 US disclosed
US-20080182992-A1 Antiproliferative agents; anticancer agents; antiinflammatry agents; restenosis; graft versus host disease; autoimmune disease; antiarthritic agents ARRAY BIOPHARMA, INC. 2008-07-31 US disclosed
EP-1809280-A2 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2007-07-25 EP disclosed
US-20060100161-A1 Antiproliferative agents; anticancer agents; autoimmune disease; antiarthritic agents; graft versus host disease; inflammatory bowel disorders ARRAY BIOPHARMA INC. 2006-05-11 US disclosed
WO-2006044825-A2 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2006-04-27 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 (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-20150210658-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 DUT 382/4885L3MBTL1 3042/4885GAA 426/4885
US-20080182992-A1 Antiproliferative agents; anticancer agents; antiinflammatry agents; restenosis; graft versus host disease; autoimmune disease; antiarthritic agents KIF5B, KIF2C, KIFC1 DUT 560/4885L3MBTL1 4125/4885GAA 1602/4885
US-20180334441-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF18B, KIF18A DUT 199/4885L3MBTL1 2309/4885GAA 1012/4885
US-20060100161-A1 Antiproliferative agents; anticancer agents; autoimmune disease; antiarthritic agents; graft versus host disease; inflammatory bowel disorders KIF5B, KIF2C, KIFC1 DUT 391/4885L3MBTL1 3641/4885GAA 1625/4885
US-10017482-B2 Mitotic kinesin inhibitors and methods of use thereof KIF5B, KIF18B, KIF18A DUT 199/4885L3MBTL1 2309/4885GAA 1012/4885
US-20120270803-A1 Mitotic Kinesin Inhibitors and Methods of Use Thereof KIF5B, KIF2C, KIFC1 DUT 382/4885L3MBTL1 3042/4885GAA 426/4885
US-20170066733-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF18B, KIF18A DUT 199/4885L3MBTL1 2309/4885GAA 1012/4885

“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.