SCHEMBL4020007

SCHEMBL4020007

Fc1cc(F)c(-c2c(Cl)nc(-c3cccs3)nc2NCC(F)(F)F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.38
ADORA2A P29274 1/20 0.38
MAPT P10636 7/20 0.36
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 6/20 0.36
GBA1 P04062 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PDE5A O76074 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
GAA P10253 1/20 0.34
ADORA1 P30542 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HPGD P15428 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
SCHEMBL13870013 0.85 ABCG2 (0.37) ABCG2ADORA2AMAPTKDM4EALDH1A1
SCHEMBL4016508 0.81 POLB (0.39) ABCG2MAPTALDH1A1LMNAHPGD
SCHEMBL4018990 0.81 MAT2A (0.32)
SCHEMBL4022015 0.79 ABCB1 (0.32) ABCG2
SCHEMBL4018804 0.78 MAPT (0.38) ADORA2AMAPTKDM4EALDH1A1PDE5A
SCHEMBL4017115 0.78 GPR39 (0.41) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL4021900 0.77 PDE5A (0.42) ABCG2MAPTKDM4EALDH1A1GBA1
SCHEMBL4018995 0.77 IDH2 (0.32)
SCHEMBL4023848 0.77 NPC1 (0.37) NPC1L3MBTL1
SCHEMBL4026069 0.77 AR (0.37) KDM4EALDH1A1HTTRAB9ASMN1; SMN2

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
US-20050075357-A1 5-arylpyrimidines as anticancer agents WYETH (US) 2005-04-07 US claimed
WO-2005030216-A1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS WYETH HOLDINGS CORPORATION (US) 2005-04-07 WO 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 ABCG2 50/4885ADORA2A 1489/4885MAPT 485/4885

“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.