SCHEMBL4016532

SCHEMBL4016532

CN(C)CCCOc1cc(F)c(-c2c(Cl)nc(-c3ccc(N)cn3)nc2NCC(F)(F)F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PAICS P22234 1/20 0.37
ESR1 P03372 1/20 0.33
MET P08581 2/20 0.32
CDK2 P24941 1/20 0.31
CACNA1B Q00975 3/20 0.30
MAP4K4 O95819 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
SCHEMBL13886769 0.86 PAICS (0.32) PAICSESR1MET
SCHEMBL15626284 0.86 FFAR1 (0.38) ESR1CACNA1B
SCHEMBL4018429 0.85 ESR1 (0.35) ESR1CACNA1B
SCHEMBL4018558 0.85 LIMK1 (0.37) ESR1
SCHEMBL4016369 0.84 CACNA1B (0.32) ESR1CDK2CACNA1B
SCHEMBL4018941 0.84 FGFR3 (0.31)
SCHEMBL4016367 0.83 ESR1 (0.35) ESR1CDK2CACNA1B
SCHEMBL4020442 0.82 LIMK1 (0.36) ESR1
SCHEMBL4019006 0.80 LIMK1 (0.37) ESR1
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 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 PAICS 191/4885ESR1 4769/4885MET 419/4885

“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.