SCHEMBL4478074

SCHEMBL4478074

CC(Nc1c(-c2c(F)cc(OCCCO)cc2F)c(Cl)nc2ncnn12)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.32
MBOAT4 Q96T53 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL4480395 1.00 CRHR1 (0.32) CRHR1MBOAT4ALDH1A1POLBTSHR
SCHEMBL4559264 1.00 CRHR1 (0.32) CRHR1MBOAT4ALDH1A1POLBTSHR
SCHEMBL4479729 0.97 CRHR1 (0.31) CRHR1MBOAT4ALDH1A1POLBTSHR
SCHEMBL4486160 0.97 CRHR1 (0.31) CRHR1MBOAT4ALDH1A1POLBTSHR
SCHEMBL4478113 0.97 CRHR1 (0.31) CRHR1MBOAT4ALDH1A1POLBTSHR
SCHEMBL4559097 0.95 CRHR1 (0.32) CRHR1MBOAT4ALDH1A1POLBTSHR
SCHEMBL4478286 0.95 CRHR1 (0.32) CRHR1MBOAT4ALDH1A1POLBTSHR
SCHEMBL4482843 0.95 CRHR1 (0.32) CRHR1MBOAT4ALDH1A1POLBTSHR
SCHEMBL4817894 0.94 CRHR1 (0.33) CRHR1MBOAT4ALDH1A1POLBTSHR
SCHEMBL16989314 0.93 CRHR1 (0.33) CRHR1MBOAT4ALDH1A1POLBTSHR

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 8 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-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-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES NIH - DEITR 2015-08-13 US disclosed
US-7507739-B2 6-[(substituted)phenyl]triazolopyrimidines as anticancer agents WYETH (US) 2009-03-24 US disclosed
EP-1680425-B1 6- [(SUBSTITUTED)PHENYL] TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH CORP (US) 2007-01-10 EP disclosed
US-20050090508-A1 6-[(Substituted)phenyl]triazolopyrimidines as anticancer agents WYETH HOLDINGS CORPORATION (US) 2005-04-28 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 (3 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 CRHR1 4276/4885MBOAT4 4702/4885ALDH1A1 2537/4885
US-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES MAPT, SYNJ1, PARK7 CRHR1 3941/4885MBOAT4 2846/4885ALDH1A1 4197/4885
US-20050090508-A1 6-[(Substituted)phenyl]triazolopyrimidines as anticancer agents ABCC1, ABCB1, TUBB6 CRHR1 4351/4885MBOAT4 4305/4885ALDH1A1 1838/4885

“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.