SCHEMBL4020403

SCHEMBL4020403

Oc1nc(O)c(-c2c(F)cc(F)cc2F)c(O)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
ERN1 O75460 1/20 0.33
IDO1 P14902 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
NOTUM Q6P988 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 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
SCHEMBL29184379 0.83 KMT2A (0.39) CA9CA12CA1ERN1IDO1
SCHEMBL30803661 0.74 ERN1 (0.35) CA9CA12CA1ERN1IDO1
SCHEMBL12578957 0.74 CES2 (0.39) CA9CA12CA1ERN1MEN1
SCHEMBL4024276 0.70 KDM4E (0.50) ALDH1A1RAB9ATDP1
SCHEMBL4017715 0.70 GRM5 (0.40) PKMRAB9A
SCHEMBL4166115 0.70 NOTUM (0.31) ERN1NOTUM
SCHEMBL2836445 0.69 ACLY (0.39) NOTUM
SCHEMBL6519628 0.66 CES2 (0.40) CA9CA12CA1ERN1MEN1
SCHEMBL22234298 0.66 EGLN1 (0.33) ESR1ESR2
SCHEMBL29487346 0.66 EGLN1 (0.33) ESR1ESR2

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 5 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 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 CA9 4332/4885CA12 4856/4885CA1 4844/4885

“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.