SCHEMBL4017724

SCHEMBL4017724

CNCCCOc1cc(F)c(-c2c(Cl)nc(-c3cnccn3)nc2C2CCCCCC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 16/20 0.38
LIMK2 P53671 15/20 0.38
MAPK14 Q16539 1/20 0.31
TESK1 Q15569 1/20 0.31
TESK2 Q96S53 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL13870039 0.90 LIMK1 (0.38) LIMK1LIMK2MAPK14CHRNB2CHRNA4
SCHEMBL4019011 0.86 LIMK1 (0.36) LIMK1LIMK2TESK1TESK2
SCHEMBL4019009 0.84 LIMK1 (0.36) LIMK1LIMK2TESK1TESK2
SCHEMBL5748048 0.78 LIMK1 (0.38) LIMK1LIMK2MAPK14TESK1TESK2
SCHEMBL4019003 0.77 LIMK1 (0.38) LIMK1LIMK2MAPK14TESK1TESK2
SCHEMBL4017708 0.77 LIMK1 (0.38) LIMK1LIMK2MAPK14TESK1TESK2
SCHEMBL4018434 0.77 LIMK1 (0.38) LIMK1LIMK2MAPK14TESK1TESK2
SCHEMBL4026657 0.77 ADAMTS5 (0.36) LIMK1LIMK2TESK1TESK2
SCHEMBL4026653 0.74 LIMK1 (0.33) LIMK1LIMK2TESK1TESK2
SCHEMBL4503015 0.71 PDE2A (0.35)

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 LIMK1 2268/4885LIMK2 1660/4885MAPK14 2378/4885

“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.