SCHEMBL4026653

SCHEMBL4026653

CN(CCCOc1cc(F)c(-c2c(O)nc(-c3cnccn3)nc2C2CCCCCC2)c(F)c1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 11/20 0.33
LIMK2 P53671 11/20 0.33
TESK2 Q96S53 6/20 0.32
TESK1 Q15569 5/20 0.32
PIM1 P11309 2/20 0.30
PIM3 Q86V86 2/20 0.30
PIM2 Q9P1W9 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
BMP1 P13497 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
SCHEMBL4019009 0.91 LIMK1 (0.36) LIMK1LIMK2TESK2TESK1PIM1
SCHEMBL4026657 0.85 ADAMTS5 (0.36) LIMK1LIMK2TESK2TESK1BMP1
SCHEMBL4017343 0.79 HDAC3 (0.33) PIM1PIM3PIM2TDP1BMP1
SCHEMBL4019011 0.76 LIMK1 (0.36) LIMK1LIMK2TESK2TESK1BMP1
SCHEMBL4493516 0.73 PDE2A (0.37)
SCHEMBL13870039 0.69 LIMK1 (0.38) LIMK1LIMK2
SCHEMBL4486630 0.68 PDE2A (0.37)
SCHEMBL21170664 0.65 HRH3 (0.41) LIMK1LIMK2
SCHEMBL13901884 0.65 DHODH (0.36) LIMK1LIMK2TESK2TESK1
SCHEMBL4489320 0.64 PDE2A (0.34) TDP1

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
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 1660/4885TESK2 4192/4885

“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.