SCHEMBL20183658

SCHEMBL20183658

CCn1c(=O)cc(C2CC2)c2cc(C(=O)N(C)c3ccc(C#N)cc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.44
GPBAR1 Q8TDU6 1/20 0.39
ITK Q08881 12/20 0.38
MAP4K4 O95819 2/20 0.38
CHEK2 O96017 2/20 0.38
PRKCG P05129 2/20 0.38
PHKG2 P15735 2/20 0.38
MARK3 P27448 2/20 0.38
CSNK1A1 P48729 2/20 0.38
CSNK1D P48730 2/20 0.38
CLK2 P49760 2/20 0.38
IRAK1 P51617 2/20 0.38
RPS6KA3 P51812 2/20 0.38
NEK4 P51957 2/20 0.38
CSNK1G2 P78368 2/20 0.38
MAP4K2 Q12851 2/20 0.38
PRKAA1 Q13131 2/20 0.38
CAMK2G Q13555 2/20 0.38
DYRK1A Q13627 2/20 0.38
PKN2 Q16513 2/20 0.38

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
SCHEMBL20183766 0.91 POLB (0.40) RORCGPBAR1ITKMAP4K4CHEK2
SCHEMBL20183811 0.90 ALDH1A1 (0.42) KDM4E
SCHEMBL20183593 0.89 BRD4 (0.43) ITKKDM4E
SCHEMBL20183551 0.88 KDM4E (0.38) RORCITKKDM4E
SCHEMBL20183528 0.88 KDM4E (0.48) ITKKDM4E
SCHEMBL20806260 0.86 KDM4E (0.38) ITKKDM4E
SCHEMBL20183653 0.86 NPY5R (0.39) ITKKDM4E
SCHEMBL20183591 0.86 ALDH1A1 (0.38) GPBAR1ITKTXKKDM4E
SCHEMBL20183849 0.86 MLNR (0.40) PGRKDM4E
SCHEMBL20183817 0.85 BRD4 (0.40) ITKKDM4E

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
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
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 RORC 2166/4885GPBAR1 2196/4885ITK 4696/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 RORC 2610/4885GPBAR1 1817/4885ITK 4626/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 RORC 2166/4885GPBAR1 2196/4885ITK 4696/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 RORC 2610/4885GPBAR1 1817/4885ITK 4626/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 RORC 2295/4885GPBAR1 1034/4885ITK 4572/4885

“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.