SCHEMBL15619050

SCHEMBL15619050

OCCCNCC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CA2 P00918 3/20 0.32
CA3 P07451 2/20 0.32
CA5A P35218 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA1 P00915 2/20 0.31

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
SCHEMBL16330639 0.95 CA3 (0.39) PKMKDM4ECA2CA3CA5A
SCHEMBL145207 0.83
Hydrochloric Acid SCHEMBL17065917 0.81 GSR (0.31)
SCHEMBL15114186 0.80 KDM4E (0.33) PKMKDM4ECA2CA3CA5A
SCHEMBL14064945 0.78 CA5A (0.44) PKMCA2CA3CA5ACA5B
SCHEMBL15114210 0.77 ALDH1A1 (0.31) PKMKDM4E
SCHEMBL10045231 0.76 CA5A (0.43) PKMCA2CA3CA5ACA5B
SCHEMBL6811425 0.76 PKM (0.31) PKMCA2CA3CA5ACA5B
SCHEMBL24619337 0.74 CA12 (0.52) PKMKDM4ECA2CA3CA5A
SCHEMBL2608049 0.74 TSHR (0.50) CA2CA12CA7CA14CA1

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
EP-2903436-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES UNIV PENNSYLVANIA (US) 2019-07-17 EP disclosed
EP-2903436-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES UNIV PENNSYLVANIA (US) 2019-07-17 EP disclosed
US-9994547-B2 Heteroarylamide inhibitors of TBK1 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-12 US disclosed
US-20170313675-A1 HETEROARYLAMIDE INHIBITORS OF TBK1 TAKEDA CALIFORNIA, INC. 2017-11-02 US disclosed
EP-3219207-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES The Trustees Of The University Of Pennsylvania (US) 2017-09-20 EP disclosed
EP-3219207-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES The Trustees Of The University Of Pennsylvania (US) 2017-09-20 EP disclosed
US-20170173016-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES NIH - DEITR 2017-06-22 US disclosed
US-9649317-B2 Heterocyclic compounds and their use for the treatment of neurodegenerative tauopathies THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-05-16 US disclosed
US-9598424-B2 Heteroarylamide inhibitors of TBK1 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 US disclosed
US-20170015669-A1 HETEROARYLAMIDE INHIBITORS OF TBK1 TAKEDA CALIFORNIA, INC. 2017-01-19 US disclosed
WO-2016057338-A1 HETEROARYLAMIDE INHIBITORS OF TBK1 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-14 WO disclosed
WO-2015134171-A1 HETEROARYLAMIDE INHIBITORS OF TBK1 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-11 WO disclosed
US-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES NIH - DEITR 2015-08-13 US disclosed
EP-2903436-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES The Trustees Of The University Of Pennsylvania (US) 2015-08-12 EP disclosed
WO-2014047257-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-03-27 WO disclosed
WO-2014047257-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-03-27 WO 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 (4 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-20170173016-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES MAPT, PRNP, PSEN2 PKM 203/4885KDM4E 2439/4885CA2 4459/4885
US-20170015669-A1 HETEROARYLAMIDE INHIBITORS OF TBK1 TBK1, TBKBP1, TNKS1BP1 PKM 1075/4885KDM4E 1465/4885CA2 4652/4885
US-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES MAPT, SYNJ1, PARK7 PKM 368/4885KDM4E 3159/4885CA2 4714/4885
US-20170313675-A1 HETEROARYLAMIDE INHIBITORS OF TBK1 TBK1, MAVS, IRF3 PKM 2185/4885KDM4E 1783/4885CA2 4685/4885

“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.