SCHEMBL20183580

SCHEMBL20183580

CCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccc(F)cc3N)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PER2 O15055 7/20 0.35
CRY2 Q49AN0 5/20 0.35
ALDH1A1 P00352 3/20 0.35
CRY1 Q16526 2/20 0.35
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
TSHR P16473 2/20 0.34
RORC P51449 1/20 0.33
NPY5R Q15761 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL20183793 0.90 HSP90AA1 (0.36) PER2CRY2ALDH1A1CRY1TSHR
SCHEMBL20806146 0.90 TP53 (0.35) ALDH1A1TSHRRORCNPY5RHTR3E
SCHEMBL20183679 0.89 TP53 (0.38) ALDH1A1TSHRRORCNPY5RHTR3E
SCHEMBL20183755 0.89 NPY5R (0.34) ALDH1A1TSHRRORCNPY5RHTR3E
SCHEMBL20183692 0.89 PDE4A (0.36) ALDH1A1RORCNPY5RPTGDR2KDM4E
SCHEMBL20183742 0.88 ALDH1A1 (0.38) ALDH1A1TSHRRORCNPY5RHTR3E
SCHEMBL20183844 0.88 NPY5R (0.35) ALDH1A1TSHRRORCNPY5RHTR3E
SCHEMBL20183620 0.86 ITK (0.38) PER2CRY2ALDH1A1CRY1DRD2
SCHEMBL20183747 0.86 KDM4E (0.37) ALDH1A1TSHRRORCNPY5RPTGDR2
SCHEMBL20183718 0.85 NPY5R (0.34) ALDH1A1TSHRRORCNPY5RHTR3E

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-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
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 PER2 1630/4885CRY2 1281/4885ALDH1A1 3243/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 PER2 1275/4885CRY2 1800/4885ALDH1A1 3095/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 PER2 1630/4885CRY2 1281/4885ALDH1A1 3243/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 PER2 1275/4885CRY2 1800/4885ALDH1A1 3095/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 PER2 1724/4885CRY2 1965/4885ALDH1A1 2674/4885

“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.