SCHEMBL20183645

SCHEMBL20183645

CCn1c(=O)cc(N2CCOCC2)c2cc(N3C(=O)CC[C@H]3c3ccccc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 4/20 0.41
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC5 Q9UQL6 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
METAP2 P50579 1/20 0.35

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
SCHEMBL20195167 0.84 PIK3C3 (0.41) PIK3C3KDM4EHPGDHSD17B10GAA
SCHEMBL20183716 0.81 CCNA2 (0.40) KDM4EHPGDHSD17B10SMN1; SMN2NPSR1
SCHEMBL21549509 0.76 KDM4E (0.35) PIK3C3KDM4EHPGDHSD17B10GAA
SCHEMBL20354310 0.76 METAP2 (0.34) KDM4EHPGDHSD17B10GAASMN1; SMN2
SCHEMBL20354315 0.75 KDM4E (0.35) KDM4EHPGDHSD17B10GAASMN1; SMN2
SCHEMBL20354316 0.75 HSD17B10 (0.34) KDM4EHPGDHSD17B10GAASMN1; SMN2
SCHEMBL20183852 0.74 PRKDC (0.47) KDM4EHPGDHSD17B10GAASMN1; SMN2
SCHEMBL20183547 0.73 GAA (0.47) KDM4EHPGDHSD17B10GAASMN1; SMN2
SCHEMBL20354266 0.73 PRKDC (0.54) KDM4EHPGDHSD17B10GAASMN1; SMN2
SCHEMBL20183815 0.73 GAA (0.40) KDM4EHPGDHSD17B10GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137505-B Nitrogen-containing heterocyclic compound 富士胶片株式会社 2021-07-06 CN disclosed
US-10987349-B2 Antitumor agent and bromodomain inhibitor FUJIFILM CORPORATION (JP) 2021-04-27 US disclosed
US-10987349-B2 Antitumor agent and bromodomain inhibitor FUJIFILM CORPORATION (JP) 2021-04-27 US disclosed
EP-3563851-B1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORP (JP) 2021-04-21 EP disclosed
EP-3327004-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORP (JP) 2020-11-04 EP disclosed
US-10696637-B2 Nitrogen-containing heterocyclic compound FUJIFILM CORPORATION (JP) 2020-06-30 US disclosed
US-10696637-B2 Nitrogen-containing heterocyclic compound FUJIFILM CORPORATION (JP) 2020-06-30 US disclosed
US-10633343-B2 2020-04-28 US disclosed
US-10633343-B2 2020-04-28 US disclosed
EP-3563851-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM Corporation (JP) 2019-11-06 EP disclosed
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORPORATION (JP) 2019-10-17 US disclosed
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORPORATION (JP) 2019-10-17 US disclosed
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORPORATION (JP) 2019-03-14 US disclosed
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORPORATION (JP) 2019-03-14 US disclosed
WO-2018124180-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR 富士フイルム株式会社 2018-07-05 WO disclosed
EP-3327004-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Fujifilm Corporation (JP) 2018-05-30 EP 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-10987349-B2 Antitumor agent and bromodomain inhibitor BRD4, BRD1, BRD3 PIK3C3 3536/4885KDM4E 1027/4885HPGD 2185/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 PIK3C3 4768/4885KDM4E 3906/4885HPGD 581/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 PIK3C3 3536/4885KDM4E 1027/4885HPGD 2185/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 PIK3C3 4768/4885KDM4E 3906/4885HPGD 581/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 PIK3C3 4803/4885KDM4E 3627/4885HPGD 1687/4885

“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.