SCHEMBL4018055

SCHEMBL4018055

Fc1cc(F)c(-c2c(Cl)nc(-c3nccc4ccccc34)nc2NCC(F)(F)F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
S1PR1 P21453 1/20 0.31
NPY5R Q15761 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA1A P35348 1/20 0.30
DRD3 P35462 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
CYP17A1 P05093 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAT2A P31153 1/20 0.30
PIP4K2C Q8TBX8 1/20 0.30
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 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
SCHEMBL13870009 0.86 HDAC6 (0.37) TRPA1HDAC6
SCHEMBL4018990 0.82 MAT2A (0.32) MAT2A
SCHEMBL4017115 0.81 GPR39 (0.41)
SCHEMBL4023848 0.80 NPC1 (0.37)
SCHEMBL4018995 0.78 IDH2 (0.32)
SCHEMBL4016508 0.78 POLB (0.39)
SCHEMBL4016488 0.78 PRKD1 (0.35) CYP17A1CYP1A2
SCHEMBL4026069 0.78 AR (0.37) HDAC6
SCHEMBL4018804 0.77 MAPT (0.38)
SCHEMBL4021900 0.76 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 11 patents. 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-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
US-20050075357-A1 5-arylpyrimidines as anticancer agents WYETH (US) 2005-04-07 US disclosed
WO-2005030216-A1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS WYETH HOLDINGS CORPORATION (US) 2005-04-07 WO 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 (1 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-20050075357-A1 5-arylpyrimidines as anticancer agents DPYD, ABCC1, ARF5 TRPA1 3380/4885HDAC6 21/4885S1PR1 1460/4885

“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.