SCHEMBL4019947

SCHEMBL4019947

Fc1cc(F)c(-c2c(Cl)nc(-c3cnccn3)nc2NCC(F)(F)F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LIMK1 P53667 3/20 0.32
LIMK2 P53671 3/20 0.32
GRM5 P41594 1/20 0.32
SYK P43405 1/20 0.31
AURKB Q96GD4 1/20 0.31
CASP6 P55212 1/20 0.31
ACLY P53396 1/20 0.31
ADORA2A P29274 1/20 0.30
CYP17A1 P05093 1/20 0.30
CYP1A2 P05177 1/20 0.30
TGFBR1 P36897 1/20 0.30
TGFBR2 P37173 1/20 0.30

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
SCHEMBL13869995 0.85 NPC1 (0.34) NPC1RAB9AGRM5SYKAURKB
SCHEMBL4017115 0.85 GPR39 (0.41) NPC1GRM5TGFBR1TGFBR2
SCHEMBL13886767 0.85 LIMK1 (0.33) LIMK1LIMK2
SCHEMBL4019006 0.84 LIMK1 (0.37) LIMK1LIMK2SYKAURKB
SCHEMBL4018558 0.83 LIMK1 (0.37) LIMK1LIMK2SYKAURKB
SCHEMBL4016488 0.83 PRKD1 (0.35) SYKAURKBCYP17A1CYP1A2TGFBR1
SCHEMBL4018990 0.83 MAT2A (0.32)
SCHEMBL4020442 0.82 LIMK1 (0.36) LIMK1LIMK2SYKAURKB
SCHEMBL4019514 0.82 NPC1 (0.44) NPC1RAB9ALIMK1LIMK2GRM5
SCHEMBL4021900 0.82 PDE5A (0.42) CYP1A2

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 25 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-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-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-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES NIH - DEITR 2015-08-13 US 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
EP-1663241-B1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS WYETH CORP (US) 2009-05-27 EP disclosed
US-7524849-B2 Antitumor agents to treat multiple drug resistant tumors; promoters of microtubule polymerization; etherification WYETH HOLDINGS CORPORATION (US) 2009-04-28 US disclosed
US-7524849-B2 Antitumor agents to treat multiple drug resistant tumors; promoters of microtubule polymerization; etherification WYETH HOLDINGS CORPORATION (US) 2009-04-28 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 NPC1 619/4885RAB9A 3442/4885LIMK1 1122/4885
US-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES MAPT, SYNJ1, PARK7 NPC1 1621/4885RAB9A 2718/4885LIMK1 723/4885
US-20050075357-A1 5-arylpyrimidines as anticancer agents DPYD, ABCC1, ARF5 NPC1 344/4885RAB9A 1380/4885LIMK1 2268/4885

“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.