SCHEMBL20183765

SCHEMBL20183765

CCn1c(=O)cc(C2CCN(C)CC2)c2cc(-n3c(-c4ccccc4)c[nH]c3=O)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.36
RAC2 P15153 1/20 0.36
RAC3 P60763 1/20 0.36
CDC42 P60953 1/20 0.36
RAC1 P63000 1/20 0.36
KDM4E B2RXH2 5/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
DRD2 P14416 6/20 0.35
ALDH1A1 P00352 3/20 0.34
HTR2A P28223 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
UBE2N P61088 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33

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 0.86 TP53 (0.33) KDM4EHPGDDRD2ALDH1A1HTR1B
SCHEMBL20183535 0.85 MAPT (0.33) HTR6KDM4EHPGDDRD2ALDH1A1
SCHEMBL20183722 0.83 AR (0.35) HPGDSMN1; SMN2DRD2ALDH1A1MAPT
SCHEMBL20183667 0.81 RAC2 (0.41) RAC2RAC3CDC42RAC1KDM4E
SCHEMBL20195108 0.79 ALDH1A1 (0.40) RAC2RAC3CDC42RAC1KDM4E
SCHEMBL20183592 0.79 HTR6 (0.39) HTR6KDM4E
SCHEMBL20183815 0.78 GAA (0.40) RAC2RAC3CDC42RAC1KDM4E
SCHEMBL20183850 0.77 KDM4E (0.40) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL20183574 0.76 QPCT (0.38) KDM4EHPGDSMN1; SMN2DRD2ALDH1A1
SCHEMBL20195180 0.73 HTR1D (0.50) HTR6KDM4EHPGDSMN1; SMN2DRD2

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 HTR6 4048/4885RAC2 1731/4885RAC3 1617/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 HTR6 3185/4885RAC2 3470/4885RAC3 3358/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 HTR6 4048/4885RAC2 1731/4885RAC3 1617/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 HTR6 3185/4885RAC2 3470/4885RAC3 3358/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 HTR6 3849/4885RAC2 3502/4885RAC3 3522/4885

“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.