SCHEMBL1928530

SCHEMBL1928530

NNC(=O)c1cccc(SF)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
KDM4E B2RXH2 5/20 0.58
AOC2 O75106 1/20 0.50
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 4/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
STAT3 P40763 1/20 0.41
STAT1 P42224 1/20 0.41
MPO P05164 2/20 0.41

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
SCHEMBL20979715 0.84 ALDH1A1 (0.59) ALDH1A1KDM4EAOC2CYP1A2CYP2C9
SCHEMBL6261306 0.84 ALDH1A1 (0.59) ALDH1A1KDM4EAOC2CYP1A2CYP2C9
SCHEMBL2287123 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EAOC2CYP1A2CYP2C9
SCHEMBL6266252 0.82 KDM4E (0.58) ALDH1A1KDM4EAOC2HSD17B10RAB9A
SCHEMBL29398704 0.82 KDM4E (0.58) ALDH1A1KDM4EAOC2HSD17B10RAB9A
SCHEMBL77384 0.80 ALDH1A1 (0.76) ALDH1A1KDM4EAOC2CYP1A2HSD17B10
SCHEMBL27997107 0.79 PARP1 (0.57) CYP1A2CYP2C9HPGDHSD17B10MAPT
SCHEMBL20979707 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EAOC2CYP1A2CYP2C9
SCHEMBL20979642 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EAOC2CYP1A2CYP2C9
SCHEMBL2107844 0.77 OGG1 (0.61) ALDH1A1KDM4EAOC2CYP1A2LMNA

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 17 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
EP-1809280-B1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2011-09-07 EP disclosed
US-20110201651-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2011-08-18 US disclosed
US-7956073-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-06-07 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 (8 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-20110201651-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 ALDH1A1 2827/4885KDM4E 939/4885AOC2 4425/4885
US-20150210658-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 ALDH1A1 2827/4885KDM4E 939/4885AOC2 4425/4885
US-20080182992-A1 Antiproliferative agents; anticancer agents; antiinflammatry agents; restenosis; graft versus host disease; autoimmune disease; antiarthritic agents KIF5B, KIF2C, KIFC1 ALDH1A1 1820/4885KDM4E 1019/4885AOC2 4262/4885
US-20180334441-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF18B, KIF18A ALDH1A1 3542/4885KDM4E 708/4885AOC2 4256/4885
US-20060100161-A1 Antiproliferative agents; anticancer agents; autoimmune disease; antiarthritic agents; graft versus host disease; inflammatory bowel disorders KIF5B, KIF2C, KIFC1 ALDH1A1 1990/4885KDM4E 710/4885AOC2 4553/4885
US-10017482-B2 Mitotic kinesin inhibitors and methods of use thereof KIF5B, KIF18B, KIF18A ALDH1A1 3542/4885KDM4E 708/4885AOC2 4256/4885
US-20120270803-A1 Mitotic Kinesin Inhibitors and Methods of Use Thereof KIF5B, KIF2C, KIFC1 ALDH1A1 2827/4885KDM4E 939/4885AOC2 4425/4885
US-20170066733-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF18B, KIF18A ALDH1A1 3542/4885KDM4E 708/4885AOC2 4256/4885

“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.