SCHEMBL4026657

SCHEMBL4026657

O=C(O)NCCCCOc1cc(F)c(-c2c(O)nc(-c3cnccn3)nc2C2CCCCCC2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.36
LIMK1 P53667 13/20 0.35
LIMK2 P53671 13/20 0.35
TESK2 Q96S53 6/20 0.35
TESK1 Q15569 5/20 0.35
CYP2C9 P11712 1/20 0.33
EPHX2 P34913 1/20 0.33
BMP1 P13497 1/20 0.32
ESR1 P03372 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 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
SCHEMBL4019011 0.91 LIMK1 (0.36) ADAMTS5LIMK1LIMK2TESK2TESK1
SCHEMBL4026653 0.85 LIMK1 (0.33) LIMK1LIMK2TESK2TESK1BMP1
SCHEMBL4017343 0.80 HDAC3 (0.33) BMP1HDAC3HDAC1HDAC2
SCHEMBL4019009 0.76 LIMK1 (0.36) LIMK1LIMK2TESK2TESK1
SCHEMBL13870039 0.72 LIMK1 (0.38) LIMK1LIMK2
SCHEMBL13901884 0.65 DHODH (0.36) LIMK1LIMK2TESK2TESK1HDAC1
SCHEMBL4017715 0.64 GRM5 (0.40) LIMK1LIMK2TESK2TESK1HDAC1
SCHEMBL28080023 0.60 NPY5R (0.38) HDAC3HDAC1HDAC2
SCHEMBL4019003 0.58 LIMK1 (0.38) LIMK1LIMK2TESK2TESK1
SCHEMBL21170664 0.57 HRH3 (0.41) LIMK1LIMK2CYP2C9MAPT

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 ADAMTS5 2610/4885LIMK1 2268/4885LIMK2 1660/4885

“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.