SCHEMBL20183801

SCHEMBL20183801

CCn1c(=O)cc(C2CC2)c2cc(-c3cccnc3-c3ccccc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
METAP2 P50579 5/20 0.38
NPY5R Q15761 3/20 0.37
KMO O15229 1/20 0.37
PTGER4 P35408 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
MAPK14 Q16539 2/20 0.36
FEN1 P39748 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL20806268 0.90 MAPK14 (0.40) NPY5RPTGER4KDM4EALDH1A1MAPT
SCHEMBL20183754 0.84 METAP2 (0.43) PTGS1PTGS2METAP2NPY5RKMO
SCHEMBL20183831 0.83 KMO (0.46) PTGS1PTGS2METAP2NPY5RKMO
SCHEMBL20183759 0.80 PRKDC (0.42) METAP2PTGER4KDM4EALDH1A1LMNA
SCHEMBL20183838 0.77 KDM4E (0.43) NPY5RPTGER4GSK3BKDM4EMAPK14
SCHEMBL20183891 0.73 PTGER4 (0.42) PTGER4
SCHEMBL20183660 0.72 GRM4 (0.45) KDM4EALDH1A1MAPTPKM
SCHEMBL20183746 0.72 KDM4E (0.42) NPY5RKDM4EALDH1A1MAPTPKM
SCHEMBL21549489 0.72 KDM4E (0.43) KDM4EALDH1A1MAPT
SCHEMBL23253971 0.71 KDM4E (0.34) PTGER4KDM4EALDH1A1MAPTPKM

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
CN-108137505-B Nitrogen-containing heterocyclic compound 富士胶片株式会社 2021-07-06 CN disclosed
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 PTGS1 1791/4885PTGS2 2848/4885METAP2 2417/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 PTGS1 340/4885PTGS2 937/4885METAP2 1891/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 PTGS1 1791/4885PTGS2 2848/4885METAP2 2417/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 PTGS1 340/4885PTGS2 937/4885METAP2 1891/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 PTGS1 448/4885PTGS2 1030/4885METAP2 1237/4885

“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.