SCHEMBL16145153

SCHEMBL16145153

Cc1noc(C)c1-c1cnc2c(c1)c(CC1CCN(C(=O)C(F)(F)F)CC1)cn2C

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.66
SMN1; SMN2 Q16637 1/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CLK4 Q9HAZ1 1/20 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
SCHEMBL16145544 0.90 BRD4 (0.71) BRD4SMN1; SMN2ALDH1A1CYP1A2CLK4
SCHEMBL19968960 0.87 BRD4 (0.67) BRD4SMN1; SMN2GSK3BALDH1A1CYP1A2
SCHEMBL16145332 0.86 BRD4 (0.66) BRD4SMN1; SMN2GSK3BALDH1A1CYP1A2
SCHEMBL16145273 0.84 BRD4 (0.64) BRD4SMN1; SMN2
SCHEMBL16145187 0.82 BRD4 (0.62) BRD4SMN1; SMN2ALDH1A1
SCHEMBL16145427 0.82 BRD4 (0.82) BRD4
SCHEMBL19565468 0.82 BRD4 (0.61) BRD4SMN1; SMN2
SCHEMBL19565467 0.81 BRD4 (0.66) BRD4
SCHEMBL16060672 0.80 BRD4 (0.68) BRD4ALDH1A1CYP1A2CLK4
SCHEMBL16145238 0.80 BRD4 (1.00) BRD4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970265-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC (US) 2018-08-08 EP disclosed
US-20180072722-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2018-03-15 US disclosed
US-20180072722-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2018-03-15 US disclosed
US-20180072722-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2018-03-15 US disclosed
US-9822109-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2017-11-21 US disclosed
US-9822109-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2017-11-21 US disclosed
US-9822109-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2017-11-21 US disclosed
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-11-09 US disclosed
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-11-09 US disclosed
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-11-09 US disclosed
US-9718847-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2017-08-01 US disclosed
US-20160068528-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2016-03-10 US disclosed
US-20160068528-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2016-03-10 US disclosed
US-20160068528-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2016-03-10 US disclosed
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2015-05-14 US disclosed
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2015-05-14 US disclosed
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2015-05-14 US disclosed
US-20140303121-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2014-10-09 US disclosed
US-20140303121-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2014-10-09 US disclosed
US-20140303121-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2014-10-09 US 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-20140303121-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 BRD4 1365/4885SMN1; SMN2 1742/4885GSK3B 2918/4885
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 BRD4 1365/4885SMN1; SMN2 1742/4885GSK3B 2918/4885
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 BRD4 1365/4885SMN1; SMN2 1742/4885GSK3B 2918/4885
US-20160068528-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 BRD4 1365/4885SMN1; SMN2 1742/4885GSK3B 2918/4885
US-20180072722-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 BRD4 1365/4885SMN1; SMN2 1742/4885GSK3B 2918/4885

“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.