SCHEMBL4017715

SCHEMBL4017715

Oc1nc(-c2cnccn2)nc(O)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ACLY P53396 1/20 0.37
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
GRM1 Q13255 1/20 0.33
CASP6 P55212 1/20 0.33
CYP11B2 P19099 1/20 0.33
CDK8 P49336 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CDK9 P50750 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
PKM P14618 1/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL13901884 0.90 DHODH (0.36) GRM5NPC1RAB9AADORA2AADORA1
SCHEMBL4017343 0.83 HDAC3 (0.33) GRM5NPC1RAB9AACLYCYP11B2
SCHEMBL4019514 0.82 NPC1 (0.44) GRM5NPC1RAB9AACLYADORA2A
SCHEMBL4024276 0.79 KDM4E (0.50) GRM5NPC1RAB9AKDM4E
SCHEMBL13901881 0.72 NPC1 (0.40) GRM5NPC1RAB9AADORA2ACYP11B2
SCHEMBL2836445 0.72 ACLY (0.39) ACLYCASP6CYP11B2HDAC6NPY5R
SCHEMBL23647956 0.71 NPC1 (0.39) GRM5NPC1RAB9AADORA2AADORA1
SCHEMBL4020403 0.70 CA9 (0.35) RAB9APKM
SCHEMBL4021324 0.70 LATS1 (0.38) GRM5NPC1RAB9ALIMK1LIMK2
SCHEMBL4022005 0.70 LATS1 (0.38) GRM5NPC1RAB9ALIMK1LIMK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891052-A1 TUBULIN INHIBITOR AND PROCESS FOR ITS PREPARATION Wyeth (US) 2008-02-27 EP claimed
US-7244736-B2 Tubulin inhibitor and process for its preparation WYETH (US) 2007-07-17 US claimed
WO-2006138180-A1 TUBULIN INHIBITOR AND PROCESS FOR ITS PREPARATION WYETH (US) 2006-12-28 WO claimed
US-20060281760-A1 Tubulin inhibitor and process for its preparation WYETH (US) 2006-12-14 US claimed
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
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-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-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES NIH - DEITR 2015-08-13 US disclosed
US-20070249627-A1 Tubulin inhibitor and process for its preparation WYETH (US) 2007-10-25 US disclosed
US-7244736-B2 Tubulin inhibitor and process for its preparation WYETH (US) 2007-07-17 US disclosed
US-7244736-B2 Tubulin inhibitor and process for its preparation WYETH (US) 2007-07-17 US disclosed
WO-2006138180-A1 TUBULIN INHIBITOR AND PROCESS FOR ITS PREPARATION WYETH (US) 2006-12-28 WO disclosed
US-20060281760-A1 Tubulin inhibitor and process for its preparation WYETH (US) 2006-12-14 US disclosed
EP-1663241-A1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS Wyeth Holdings Corporation (US) 2006-06-07 EP disclosed
WO-2005030216-A1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS WYETH HOLDINGS CORPORATION (US) 2005-04-07 WO disclosed
US-20050075357-A1 5-arylpyrimidines as anticancer agents WYETH (US) 2005-04-07 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-20170173016-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES MAPT, PRNP, PSEN2 GRM5 267/4885NPC1 619/4885RAB9A 3442/4885
US-20070249627-A1 Tubulin inhibitor and process for its preparation TUBB1, TUBB6, TUBB GRM5 3680/4885NPC1 1716/4885RAB9A 2183/4885
US-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES MAPT, SYNJ1, PARK7 GRM5 117/4885NPC1 1621/4885RAB9A 2718/4885
US-20060281760-A1 Tubulin inhibitor and process for its preparation TUBB1, TUBB6, TUBB GRM5 3680/4885NPC1 1716/4885RAB9A 2183/4885
US-20050075357-A1 5-arylpyrimidines as anticancer agents DPYD, ABCC1, ARF5 GRM5 317/4885NPC1 344/4885RAB9A 1380/4885

“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.