SCHEMBL4020442

SCHEMBL4020442

CN(C)CCCCOc1cc(F)c(-c2c(Cl)nc(-c3cnccn3)nc2NCC(F)(F)F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 11/20 0.36
LIMK2 P53671 11/20 0.36
HRH3 Q9Y5N1 1/20 0.34
SYK P43405 1/20 0.31
AURKB Q96GD4 1/20 0.31
ESR1 P03372 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4018558 0.97 LIMK1 (0.37) LIMK1LIMK2HRH3SYKAURKB
SCHEMBL4019006 0.95 LIMK1 (0.37) LIMK1LIMK2HRH3SYKAURKB
SCHEMBL13870032 0.88 LIMK1 (0.34) LIMK1LIMK2HRH3SYKAURKB
SCHEMBL13870028 0.86 HRH3 (0.36) LIMK1LIMK2HRH3SYKAURKB
SCHEMBL15626284 0.85 FFAR1 (0.38) ESR1
SCHEMBL4016367 0.84 ESR1 (0.35) ESR1KDM4E
SCHEMBL15626293 0.84 LIMK1 (0.36) LIMK1LIMK2HRH3ESR1
SCHEMBL16989331 0.84 LIMK1 (0.36) LIMK1LIMK2HRH3ESR1
SCHEMBL13870031 0.83 LIMK1 (0.34) LIMK1LIMK2HRH3SYKAURKB
SCHEMBL4019947 0.82 NPC1 (0.35) LIMK1LIMK2SYKAURKB

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
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
EP-1663241-A1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS Wyeth Holdings Corporation (US) 2006-06-07 EP disclosed
US-20050075357-A1 5-arylpyrimidines as anticancer agents WYETH (US) 2005-04-07 US disclosed
WO-2005030216-A1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS WYETH HOLDINGS CORPORATION (US) 2005-04-07 WO 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 LIMK1 2268/4885LIMK2 1660/4885HRH3 4308/4885

“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.