SCHEMBL4019514

SCHEMBL4019514

Fc1cc(F)c(-c2c(Cl)nc(-c3cnccn3)nc2Cl)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GRM5 P41594 1/20 0.40
PKM P14618 1/20 0.38
ACLY P53396 1/20 0.37
ADORA2A P29274 2/20 0.35
LIMK1 P53667 5/20 0.33
LIMK2 P53671 5/20 0.33
CYP11B2 P19099 1/20 0.33
ADORA1 P30542 1/20 0.31
GRM1 Q13255 1/20 0.31
TERT O14746 2/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
P2RX7 Q99572 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
NPY5R Q15761 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
SCHEMBL13901881 0.90 NPC1 (0.40) NPC1RAB9AGRM5PKMADORA2A
SCHEMBL4019947 0.82 NPC1 (0.35) NPC1RAB9AGRM5ACLYADORA2A
SCHEMBL4017715 0.82 GRM5 (0.40) NPC1RAB9AGRM5PKMACLY
SCHEMBL4021496 0.80 LATS1 (0.38) NPC1RAB9AGRM5LIMK1LIMK2
SCHEMBL4022005 0.80 LATS1 (0.38) NPC1RAB9AGRM5LIMK1LIMK2
SCHEMBL4021324 0.80 LATS1 (0.38) NPC1RAB9AGRM5LIMK1LIMK2
SCHEMBL4022147 0.79 METAP1 (0.51) NPC1RAB9AGRM5KDM4E
SCHEMBL13901882 0.73 LATS1 (0.38) NPC1RAB9ALIMK1LIMK2
SCHEMBL13901884 0.72 DHODH (0.36) NPC1RAB9AGRM5ADORA2ALIMK1
SCHEMBL2836367 0.72 ACLY (0.39) GRM5ACLYCYP11B2P2RX7NPY5R

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 34 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-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-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-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 (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 NPC1 619/4885RAB9A 3442/4885GRM5 267/4885
US-20070249627-A1 Tubulin inhibitor and process for its preparation TUBB1, TUBB6, TUBB NPC1 1716/4885RAB9A 2183/4885GRM5 3680/4885
US-20060281760-A1 Tubulin inhibitor and process for its preparation TUBB1, TUBB6, TUBB NPC1 1716/4885RAB9A 2183/4885GRM5 3680/4885
US-20050075357-A1 5-arylpyrimidines as anticancer agents DPYD, ABCC1, ARF5 NPC1 344/4885RAB9A 1380/4885GRM5 317/4885

“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.