SCHEMBL20183766

SCHEMBL20183766

CCn1c(=O)cc(C2CC2)c2cc(C(=O)N(C)c3cccc(C#N)c3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
RORC P51449 6/20 0.40
MAPK14 Q16539 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ITK Q08881 6/20 0.37
MAP4K4 O95819 2/20 0.37
PHKG2 P15735 2/20 0.37
MARK3 P27448 2/20 0.37
CSNK1A1 P48729 2/20 0.37
CSNK1D P48730 2/20 0.37
CLK2 P49760 2/20 0.37
IRAK1 P51617 2/20 0.37
RPS6KA3 P51812 2/20 0.37
NEK4 P51957 2/20 0.37
CSNK1G2 P78368 2/20 0.37
MAP4K2 Q12851 2/20 0.37
CAMK2G Q13555 2/20 0.37
DYRK1A Q13627 2/20 0.37
PKN2 Q16513 2/20 0.37
AURKB Q96GD4 2/20 0.37

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
SCHEMBL20183658 0.91 RORC (0.44) RORCKDM4EITKMAP4K4PHKG2
SCHEMBL20183725 0.87 HSD17B1 (0.44) KDM4EALDH1A1
SCHEMBL20183528 0.87 KDM4E (0.48) POLBKDM4EITKALDH1A1
SCHEMBL20183752 0.86 PDK1 (0.41) KDM4EITKMLNRALDH1A1
SCHEMBL20183587 0.86 KDM4E (0.41) KDM4EALDH1A1
SCHEMBL20183839 0.84 MEN1 (0.43) KDM4EALDH1A1
SCHEMBL20183554 0.83 LMNA (0.38) POLBRORCKDM4EALDH1A1
SCHEMBL20183811 0.83 ALDH1A1 (0.42) KDM4EALDH1A1
SCHEMBL20183576 0.83 ALDH1A1 (0.40) POLBRORCKDM4EALDH1A1
SCHEMBL20183623 0.83 KDM4E (0.45) POLBKDM4EITKALDH1A1

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 POLB 2400/4885RORC 2166/4885MAPK14 3164/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 POLB 2919/4885RORC 2610/4885MAPK14 2534/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 POLB 2400/4885RORC 2166/4885MAPK14 3164/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 POLB 2919/4885RORC 2610/4885MAPK14 2534/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 POLB 3220/4885RORC 2295/4885MAPK14 3362/4885

“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.