SCHEMBL20183706

SCHEMBL20183706

CCn1c(=O)cc(C)c2cc(N(C)C(=O)c3ccsc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.41
ITK Q08881 1/20 0.41
KDM4E B2RXH2 7/20 0.39
POLB P06746 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPY5R Q15761 1/20 0.36
TP53 P04637 1/20 0.36
RORC P51449 1/20 0.35
PDK1 Q15118 1/20 0.35
ELANE P08246 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL20183703 0.81 CNR1 (0.44) INSRITKKDM4EPOLBHSD17B10
SCHEMBL20183863 0.80 KDM4E (0.47) ITKKDM4EPOLBHSD17B10L3MBTL1
SCHEMBL20183643 0.77 HSD17B1 (0.49) KDM4EPOLBHSD17B10L3MBTL1TP53
SCHEMBL20183642 0.77 KDM4E (0.39) KDM4EPOLBHSD17B10L3MBTL1NPY5R
SCHEMBL20183747 0.74 KDM4E (0.37) KDM4EPOLBHSD17B10L3MBTL1NPY5R
SCHEMBL20183719 0.73 KDM4E (0.44) INSRITKKDM4ENPY5RRORC
SCHEMBL21549481 0.72 RORC (0.39) ITKKDM4EPOLBHSD17B10L3MBTL1
SCHEMBL20183843 0.71 RORC (0.44) INSRITKKDM4ENPY5RTP53
SCHEMBL20183518 0.71 BRD4 (0.39) ITKKDM4ENPY5RTP53RORC
SCHEMBL20183699 0.70 KDM4E (0.43) ITKKDM4EPOLBHSD17B10L3MBTL1

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
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
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 INSR 1752/4885ITK 4696/4885KDM4E 1027/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 INSR 728/4885ITK 4626/4885KDM4E 3906/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 INSR 1752/4885ITK 4696/4885KDM4E 1027/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 INSR 728/4885ITK 4626/4885KDM4E 3906/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 INSR 741/4885ITK 4572/4885KDM4E 3627/4885

“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.