SCHEMBL20183722

SCHEMBL20183722

CCn1c(=O)cc(C2CC2)c2cc(-n3c(-c4ccc(C(F)(F)F)cc4)c[nH]c3=O)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
HTR1A P08908 3/20 0.33
HTR1B P28222 3/20 0.33
CTSS P25774 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MCHR1 Q99705 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAOB P27338 1/20 0.32
PTGS2 P35354 1/20 0.32
TRPC3 Q13507 1/20 0.32
TRPC7 Q9HCX4 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
SCHEMBL20183876 0.89 TP53 (0.33) HTR1AHTR1BDRD2HTR2CHRH1
SCHEMBL20183535 0.88 MAPT (0.33) HTR1AHTR1BPDE4DMCHR1DRD2
SCHEMBL20788152 0.85 AR (0.35) ARSIGMAR1HTR1AHTR1BCTSS
SCHEMBL20183765 0.83 HTR6 (0.36) HTR1BDRD2USP2ALDH1A1MAPT
SCHEMBL20354296 0.81 ALDH1A1 (0.37) CTSSMEN1USP2ALDH1A1MAPT
SCHEMBL20183589 0.73 TP53 (0.33) HTR1AHTR1BMCHR1DRD2
SCHEMBL20183667 0.72 RAC2 (0.41) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL20183850 0.72 KDM4E (0.40) KCNH2MEN1USP2ALDH1A1MAPT
SCHEMBL20183769 0.72 DRD2 (0.34) HTR1AHTR1BPDE4DMCHR1DRD2
SCHEMBL20788158 0.72 LYN (0.39) HTR1AMCHR1DRD2PTGS2MEN1

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 15 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

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 AR 1020/4885SIGMAR1 3166/4885HTR1A 3200/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 AR 3628/4885SIGMAR1 913/4885HTR1A 2410/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 AR 1020/4885SIGMAR1 3166/4885HTR1A 3200/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 AR 3628/4885SIGMAR1 913/4885HTR1A 2410/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 AR 3651/4885SIGMAR1 1375/4885HTR1A 3119/4885

“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.