SCHEMBL4018429

SCHEMBL4018429

CN(C)CCCOc1cc(F)c(-c2c(Cl)nc(-c3ccc4ccccc4n3)nc2NCC(F)(F)F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
POLB P06746 2/20 0.33
CACNA1B Q00975 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
KDR P35968 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
TOP1 P11387 1/20 0.31
RAD52 P43351 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PDK2 Q15119 1/20 0.31
CACNA1H O95180 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL13870034 0.89 POLB (0.32) ESR1POLBCACNA1BHRH3HRH4
SCHEMBL15626284 0.88 FFAR1 (0.38) ESR1CACNA1B
SCHEMBL4016367 0.85 ESR1 (0.35) ESR1CACNA1BKDRPDK2CACNA1H
SCHEMBL4016532 0.85 PAICS (0.37) ESR1CACNA1B
SCHEMBL4026069 0.84 AR (0.37) RXFP1AR
SCHEMBL4018558 0.83 LIMK1 (0.37) ESR1HRH3
SCHEMBL13886769 0.82 PAICS (0.32) ESR1
SCHEMBL4020442 0.81 LIMK1 (0.36) ESR1HRH3
SCHEMBL4016369 0.81 CACNA1B (0.32) ESR1CACNA1B
SCHEMBL4018949 0.80 KCNH2 (0.35) CACNA1B

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 10 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
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 ESR1 4769/4885POLB 1071/4885CACNA1B 4714/4885

“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.