SCHEMBL4016367

SCHEMBL4016367

CN(C)CCCOc1cc(F)c(-c2c(Cl)nc(-c3ncccn3)nc2NCC(F)(F)F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
CACNA1B Q00975 5/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.31
KDR P35968 1/20 0.31
FGFR1 P11362 1/20 0.31
PDK2 Q15119 1/20 0.31
CACNA1H O95180 1/20 0.30
CDK2 P24941 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
SCHEMBL15626284 0.90 FFAR1 (0.38) ESR1CACNA1B
SCHEMBL4016369 0.89 CACNA1B (0.32) ESR1CACNA1BCDK2
SCHEMBL13870030 0.87 CACNA1B (0.32) ESR1CACNA1BKDM4E
SCHEMBL4018558 0.87 LIMK1 (0.37) ESR1MAPT
SCHEMBL4018949 0.85 KCNH2 (0.35) CACNA1BMAPTKDM4E
SCHEMBL4018429 0.85 ESR1 (0.35) ESR1CACNA1BKDRPDK2CACNA1H
SCHEMBL4020442 0.84 LIMK1 (0.36) ESR1KDM4E
SCHEMBL4016532 0.83 PAICS (0.37) ESR1CACNA1BCDK2
SCHEMBL4020578 0.82 CYP1A2 (0.42) CACNA1BKDM4ECDK2
SCHEMBL4019006 0.82 LIMK1 (0.37) ESR1MAPT

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 ESR1 4769/4885CACNA1B 4714/4885MAPT 485/4885

“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.