SCHEMBL16264688

SCHEMBL16264688

COc1cccnc1Nc1ccc(C)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.61
ASIC3 Q9UHC3 1/20 0.61
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
KDR P35968 1/20 0.48
PDE10A Q9Y233 2/20 0.46
RAB9A P51151 3/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
P4HB P07237 1/20 0.42
SLC2A1 P11166 1/20 0.42
PDE5A O76074 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 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
SCHEMBL8307140 0.85 GRM5 (0.69) GRM5ASIC3KDM4EKMT2AMEN1
SCHEMBL13689760 0.78 KMT2A (0.66) KDM4EKMT2AMEN1KDRRAB9A
SCHEMBL16264676 0.77 GRM5 (0.58) GRM5ASIC3KDM4EKMT2AMEN1
SCHEMBL5582792 0.76 GRM5 (1.00) GRM5ASIC3
SCHEMBL16245591 0.74 ULK1 (0.49) GRM5ASIC3KDM4ERAB9AGAA
SCHEMBL16245883 0.74 GRM5 (0.49) GRM5ASIC3KDR
SCHEMBL1702467 0.74 GRM5 (0.62) GRM5ASIC3KDM4EKDRPDE10A
SCHEMBL27311239 0.73 SLC2A1 (0.50) KDM4EKMT2AMEN1KDRPDE10A
SCHEMBL19681546 0.72 GRM5 (0.50) GRM5ASIC3KMT2AMEN1KDR
SCHEMBL11970994 0.72 KDR (0.57) GRM5ASIC3KMT2AMEN1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870624-B2 Histone deacetylase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2020-12-22 US disclosed
US-10870624-B2 Histone deacetylase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2020-12-22 US disclosed
US-20200316062-A1 COMBINATIONS COMPRISING HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2020-10-08 US disclosed
US-20200316062-A1 COMBINATIONS COMPRISING HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2020-10-08 US disclosed
EP-3456355-A1 COMPOSITIONS COMPRISING A PI3K INHIBITOR AND AN HDAC INHIBITOR Karus Therapeutics Ltd (GB) 2019-03-20 EP disclosed
EP-3456355-A1 COMPOSITIONS COMPRISING A PI3K INHIBITOR AND AN HDAC INHIBITOR Karus Therapeutics Ltd (GB) 2019-03-20 EP disclosed
US-20180243317-A1 COMPOSITIONS COMPRISING A PI3K INHIBITOR AND AN HDAC INHIBITOR KARUS THERAPEUTICS LTD (GB) 2018-08-30 US disclosed
EP-3337484-A1 COMPOSITIONS COMPRISING A PI3K INHIBITOR AND AN HDAC INHIBITOR Karus Therapeutics Ltd (GB) 2018-06-27 EP disclosed
US-20180170876-A1 NOVEL HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2018-06-21 US disclosed
US-20180170876-A1 NOVEL HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2018-06-21 US disclosed
US-20180170876-A1 NOVEL HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2018-06-21 US disclosed
US-9862685-B2 Histone deacetylase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2018-01-09 US disclosed
US-9862685-B2 Histone deacetylase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2018-01-09 US disclosed
WO-2017208032-A1 COMBINATIONS COMPRISING HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LTD (GB) 2017-12-07 WO disclosed
WO-2017029514-A1 COMPOSITIONS COMPRISING A PI3K INHIBITOR AND AN HDAC INHIBITOR KARUS THERAPEUTICS LTD (GB) 2017-02-23 WO disclosed
WO-2017029514-A1 COMPOSITIONS COMPRISING A PI3K INHIBITOR AND AN HDAC INHIBITOR KARUS THERAPEUTICS LTD (GB) 2017-02-23 WO disclosed
US-20160096804-A1 NOVEL HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2016-04-07 US disclosed
US-20160096804-A1 NOVEL HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2016-04-07 US disclosed
US-20160096804-A1 NOVEL HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2016-04-07 US disclosed
WO-2014181137-A1 NOVEL HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LTD (GB) 2014-11-13 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 (5 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-20160096804-A1 NOVEL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC11 GRM5 2758/4885ASIC3 1433/4885KDM4E 146/4885
US-20180243317-A1 COMPOSITIONS COMPRISING A PI3K INHIBITOR AND AN HDAC INHIBITOR HDAC1, HDAC9, HDAC5 GRM5 2196/4885ASIC3 1066/4885KDM4E 348/4885
US-20180170876-A1 NOVEL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC11 GRM5 2758/4885ASIC3 1433/4885KDM4E 146/4885
US-10870624-B2 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC2 GRM5 2397/4885ASIC3 1402/4885KDM4E 133/4885
US-20200316062-A1 COMBINATIONS COMPRISING HISTONE DEACETYLASE INHIBITORS MCL1, HDAC1, MYC GRM5 4310/4885ASIC3 4645/4885KDM4E 625/4885

“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.