SCHEMBL4018804

SCHEMBL4018804

Fc1cc(F)c(-c2c(Cl)nc(-c3ccco3)nc2NCC(F)(F)F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
HSD17B10 Q99714 4/20 0.38
KDM4E B2RXH2 3/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
PDE5A O76074 2/20 0.36
GAA P10253 1/20 0.36
POLB P06746 3/20 0.35
ADORA3 P0DMS8 3/20 0.34
ADORA2A P29274 3/20 0.34
ADORA1 P30542 2/20 0.34
KLKB1 P03952 1/20 0.34
TP53 P04637 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
LYN P07948 1/20 0.33
BMX P51813 1/20 0.33
BTK Q06187 1/20 0.33

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
SCHEMBL13870015 0.85 MAPT (0.36) MAPTHSD17B10KDM4ETSHRALDH1A1
SCHEMBL4022015 0.81 ABCB1 (0.32)
SCHEMBL4018990 0.81 MAT2A (0.32)
SCHEMBL4016508 0.79 POLB (0.39) MAPTALDH1A1HPGDPOLBLMNA
SCHEMBL4020007 0.78 ABCG2 (0.38) MAPTKDM4EALDH1A1HPGDPDE5A
SCHEMBL4017115 0.78 GPR39 (0.41) KDM4EALDH1A1MAPK14
SCHEMBL4021900 0.77 PDE5A (0.42) MAPTHSD17B10KDM4ETSHRALDH1A1
SCHEMBL4018995 0.77 IDH2 (0.32)
SCHEMBL4018055 0.77 TRPA1 (0.35)
SCHEMBL4016488 0.77 PRKD1 (0.35)

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
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 (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 MAPT 485/4885HSD17B10 3834/4885KDM4E 1582/4885

“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.