SCHEMBL2406550

SCHEMBL2406550

Nc1ccc(F)cc1OC1CCCOC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
GRM5 P41594 1/20 0.39
KCNH2 Q12809 1/20 0.38
NTRK1 P04629 1/20 0.37
PDE4D Q08499 10/20 0.35
PDE4A P27815 6/20 0.35
PDE4B Q07343 6/20 0.35
PDE4C Q08493 6/20 0.35
CNR2 P34972 1/20 0.34
QPCT Q16769 1/20 0.34
QPCTL Q9NXS2 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2409169 1.00 EIF4E (0.47) EIF4EMKNK1MKNK2HDAC3HDAC1
SCHEMBL2406543 1.00 EIF4E (0.47) EIF4EMKNK1MKNK2HDAC3HDAC1
SCHEMBL2406266 0.91 NTRK1 (0.42) EIF4EMKNK1MKNK2NTRK1PDE4D
SCHEMBL2406263 0.91 NTRK1 (0.42) EIF4EMKNK1MKNK2NTRK1PDE4D
SCHEMBL2409363 0.91 NTRK1 (0.42) EIF4EMKNK1MKNK2NTRK1PDE4D
SCHEMBL15534488 0.83 MCHR1 (0.42) EIF4EMKNK1MKNK2HDAC3HDAC1
SCHEMBL1937164 0.82 SYK (0.44) MKNK1MKNK2HDAC3HDAC1HDAC2
SCHEMBL23747249 0.80 CSNK2A1 (0.47) EIF4EMKNK1MKNK2GRM5KCNH2
SCHEMBL24997173 0.80 ALDH1A1 (0.43) ALDH1A1
SCHEMBL16476505 0.80 MKNK1 (0.45) EIF4EMKNK1MKNK2GRM5KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648068-B2 Heterocycloalkyl-containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 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-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, TNK2, CMPK1 EIF4E 2189/4885MKNK1 50/4885MKNK2 18/4885

“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.