SCHEMBL4022005

SCHEMBL4022005

C[C@H](Nc1nc(-c2cnccn2)nc(Cl)c1-c1c(F)cc(F)cc1F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.38
LATS2 Q9NRM7 1/20 0.38
IDH1 O75874 9/20 0.34
IDH2 P48735 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LIMK1 P53667 6/20 0.32
MAPK14 Q16539 1/20 0.32
LIMK2 P53671 5/20 0.32
GRM5 P41594 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
SCHEMBL4021496 1.00 LATS1 (0.38) LATS1LATS2IDH1IDH2NPC1
SCHEMBL4021324 1.00 LATS1 (0.38) LATS1LATS2IDH1IDH2NPC1
SCHEMBL13901882 0.94 LATS1 (0.38) LATS1LATS2IDH1IDH2NPC1
SCHEMBL14404833 0.92 LATS1 (0.37) LATS1LATS2IDH1IDH2NPC1
SCHEMBL5538104 0.87 LATS1 (0.34) LATS1LATS2IDH1IDH2LIMK1
SCHEMBL4028514 0.85 CYP1A2 (0.43) IDH1IDH2NPC1RAB9ALIMK1
SCHEMBL4022692 0.85 CYP1A2 (0.43) IDH1IDH2NPC1RAB9ALIMK1
SCHEMBL4017695 0.85 CYP1A2 (0.43) IDH1IDH2NPC1RAB9ALIMK1
SCHEMBL13869990 0.85 LATS1 (0.36) LATS1LATS2IDH1IDH2NPC1
SCHEMBL4019003 0.85 LIMK1 (0.38) LATS1LATS2LIMK1MAPK14LIMK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663241-B1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS WYETH CORP (US) 2009-05-27 EP claimed
US-7524849-B2 Antitumor agents to treat multiple drug resistant tumors; promoters of microtubule polymerization; etherification WYETH HOLDINGS CORPORATION (US) 2009-04-28 US claimed
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-1663241-A1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS Wyeth Holdings Corporation (US) 2006-06-07 EP claimed
WO-2005030216-A1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS WYETH HOLDINGS CORPORATION (US) 2005-04-07 WO claimed
US-20050075357-A1 5-arylpyrimidines as anticancer agents WYETH (US) 2005-04-07 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-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 (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 LATS1 731/4885LATS2 870/4885IDH1 186/4885
US-20060281760-A1 Tubulin inhibitor and process for its preparation TUBB1, TUBB6, TUBB LATS1 1434/4885LATS2 1854/4885IDH1 150/4885
US-20050075357-A1 5-arylpyrimidines as anticancer agents DPYD, ABCC1, ARF5 LATS1 3386/4885LATS2 3859/4885IDH1 1004/4885

“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.